INDIAN MEDICINAL PHYTOCHEMICAL DATABASE
Developed Under an Indian Council of Medical Research Funded Project
(Govt. Of India, Sanction No:BIC/12(31)/2013)
Home About The Project People Submission Portal Contact Us
Miquelianin
Download
MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
144.065
-0.172
478.36
8
13
4
4
2
0.534

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
144.065
Non-Mutagen
All properties and OPS components are within expected ranges.
0.374544
0.670778
-10.2218

ADMET

Energy
144.065
Solubility
-4.667
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-4.27606
Applicability
Applicability_MD
Molecular_FractionalPolarSurfaceArea out of range. Value: 0.534. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037._x000D_ OPS PC12 out of range. Value: -3.1993. Training min, max, SD, explained variance: -3.0858, 3.4931, 1.373, 0.0246.
Applicability_Mdpvalue
14.0408
Hepatotoxic
2.38213E-5
Hepatotoxic Prediction
-1.08595
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges._x000D_ Unknown FCFP_2 feature: -1678245750: [*]OC(=C([*])[*])[c](:[*]):[*]
Hepatotoxic_Applicability MDpvalue
11.5102
Absorption_Level
0.00108058
EXT_PPB
3
EXT_PPB Prediction
-10.1727
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
21.501
ADMET_AlogP98
1.96347E-29
ADMET_PSA_2D
-0.172
ADMET_BBB
227.915

Ligand Efficency

Energy
Energy/LEHA
144.065
4.23721

Click On The Picture to move.