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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Protopine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
146.814
2.953
353.369
0
6
0
5
2
0.17

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
146.814
Non-Mutagen
All properties and OPS components are within expected ranges.
0.415588
0.744286
-9.356

ADMET

Energy
146.814
Solubility
-5.072
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
2
Prediction
-0.922806
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
13.3728
Hepatotoxic
0.000124447
Hepatotoxic Prediction
-0.0225028
Hepatotoxic_Applicability
1
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
10.3943
Absorption_Level
0.0354449
EXT_PPB
0
EXT_PPB Prediction
1.75804
PPB_Applicability
1
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
10.0329
ADMET_AlogP98
0.896733
ADMET_PSA_2D
2.953
ADMET_BBB
56.373

Ligand Efficency

Energy
Energy/LEHA
146.814
5.64669

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