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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Borassoside B
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
268.632
-0.759
901.042
10
18
8
9
0
0.322

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
268.632
Non-Mutagen
All properties and OPS components are within expected ranges.
0
0
-94.8062

ADMET

Energy
268.632
Solubility
-4.614
Solubility_Level
2
Unknown_AlogP98
0
BBB_Level
EXT_CYP2D6
4
Prediction
-10.0446
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
17.9673
Hepatotoxic
7.75143E-10
Hepatotoxic Prediction
-9.8064
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
13.4805
Absorption_Level
1.60993E-7
EXT_PPB
3
EXT_PPB Prediction
-17.2949
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
12.3389
ADMET_AlogP98
0.0415499
ADMET_PSA_2D
-0.759
ADMET_BBB
279.595

Ligand Efficency

Energy
Energy/LEHA
268.632
4.264

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