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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Cannabichromene
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
59.3229
6.58
314.462
1
2
7
2
1
0.08

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
59.3229
Non-Mutagen
All properties and OPS components are within expected ranges.
0.0366747
0.0656815
-20.9738

ADMET

Energy
59.3229
Solubility
-6.284
Solubility_Level
1
Unknown_AlogP98
0
BBB_Level
1.409
EXT_CYP2D6
0
Prediction
-0.585712
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
14.1976
Hepatotoxic
1.60357E-5
Hepatotoxic Prediction
-7.02821
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
12.1139
Absorption_Level
0.000100941
EXT_PPB
1
EXT_PPB Prediction
6.8688
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
14.8598
ADMET_AlogP98
1.44276E-6
ADMET_PSA_2D
6.58
ADMET_BBB
29.745

Ligand Efficency

Energy
Energy/LEHA
59.3229
2.57926

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