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
Cannabisin E
Download
MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
204.331
4.808
642.695
6
9
15
4
4
0.254

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
204.331
Non-Mutagen
All properties and OPS components are within expected ranges.
0.0262738
0.0470544
-22.0187

ADMET

Energy
204.331
Solubility
-3.852
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-9.15183
Applicability
Applicability_MD
OPS PC6 out of range. Value: 4.5023. Training min, max, SD, explained variance: -5.674, 3.9834, 1.993, 0.0519.
Applicability_Mdpvalue
15.5224
Hepatotoxic
5.20143E-7
Hepatotoxic Prediction
-13.6771
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
OPS PC27 out of range. Value: -2.4978. Training min, max, SD, explained variance: -2.3945, 4.4682, 0.8755, 0.0096.
Hepatotoxic_Applicability MDpvalue
14.2312
Absorption_Level
2.71493E-9
EXT_PPB
3
EXT_PPB Prediction
-4.77548
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
15.9442
ADMET_AlogP98
2.35743E-9
ADMET_PSA_2D
4.808
ADMET_BBB
170.274

Ligand Efficency

Energy
Energy/LEHA
204.331
4.34747

Click On The Picture to move.