INDIAN MEDICINAL PHYTOCHEMICAL DATABASE
Developed Under an Indian Council of Medical Research Funded Project
(Govt. Of India, Sanction No:BIC/12(31)/2013)
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Dronabinol
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
69.4121
6.109
314.462
1
2
4
3
1
0.084

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
69.4121
Non-Mutagen
All properties and OPS components are within expected ranges.
1.79439E-7
3.21361E-7
-48.4486

ADMET

Energy
69.4121
Solubility
-6.445
Solubility_Level
1
Unknown_AlogP98
0
BBB_Level
1.264
EXT_CYP2D6
0
Prediction
-0.865121
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
13.0705
Hepatotoxic
0.000257517
Hepatotoxic Prediction
-3.23347
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
12.9986
Absorption_Level
1.82482E-6
EXT_PPB
1
EXT_PPB Prediction
21.2978
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.7062
ADMET_AlogP98
0.0145598
ADMET_PSA_2D
6.109
ADMET_BBB
29.745

Ligand Efficency

Energy
Energy/LEHA
69.4121
3.01792

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