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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Cannabidiolic acid
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
71.9395
6.243
358.471
3
4
7
2
1
0.197

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
71.9395
Non-Mutagen
All properties and OPS components are within expected ranges.
0.020022
0.0358578
-22.8908

ADMET

Energy
71.9395
Solubility
-5.472
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-0.847528
Applicability
Applicability_MD
All properties and OPS components are within expected ranges._x000D_ Unknown FCFP_2 feature: -1549222613: [*]:[c](:[*])C(=O)O
Applicability_Mdpvalue
14.7924
Hepatotoxic
3.49605E-6
Hepatotoxic Prediction
-4.69286
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
13.6751
Absorption_Level
5.77951E-8
EXT_PPB
2
EXT_PPB Prediction
7.19667
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
13.6459
ADMET_AlogP98
0.000485815
ADMET_PSA_2D
6.243
ADMET_BBB
79.747

Ligand Efficency

Energy
Energy/LEHA
71.9395
2.7669

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