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
Lauric acid
Download
MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
19.4428
4.568
200.318
1
2
10
0
0
0.149

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
14.8184
Non-Mutagen
All properties and OPS components are within expected ranges.
3.92815E-6
7.03501E-6
-42.8924

ADMET

Energy
19.4428
Solubility
-3.362
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.655
EXT_CYP2D6
1
Prediction
-1.23722
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
9.90618
Hepatotoxic
0.133734
Hepatotoxic Prediction
-21.3548
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
5.7213
Absorption_Level
0.999998
EXT_PPB
0
EXT_PPB Prediction
0.708971
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
8.46326
ADMET_AlogP98
0.999777
ADMET_PSA_2D
4.568
ADMET_BBB
38.116

Ligand Efficency

Energy
Energy/LEHA
19.4428
1.38877

Click On The Picture to move.