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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(-)-Carene(-)-3-Carene
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
22.0582
2.872
136.234
0
0
0
2
0
0

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
22.0582
Non-Mutagen
All properties and OPS components are within expected ranges.
0.30669
0.549258
-11.6642

ADMET

Energy
22.0582
Solubility
-3.665
Solubility_Level
3
Unknown_AlogP98
0
BBB_Level
0.734
EXT_CYP2D6
0
Prediction
-1.82001
Applicability
Applicability_MD
Molecular_FractionalPolarSurfaceArea out of range. Value: 0. Training min, max, mean, SD: 0.009, 0.513, 0.17621, 0.1037.
Applicability_Mdpvalue
11.2733
Hepatotoxic
0.0131528
Hepatotoxic Prediction
-4.32976
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
8.08188
Absorption_Level
0.863382
EXT_PPB
0
EXT_PPB Prediction
0.258051
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
8.51311
ADMET_AlogP98
0.999706
ADMET_PSA_2D
2.872
ADMET_BBB
0

Ligand Efficency

Energy
Energy/LEHA
22.0582
2.20582

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