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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Pseudotropine
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MOL
SDF
SMILES
PDB

Molecular Properties

Energy
AlgoP
Mw
HBD
HBA
NRB
#Ring
#Aromatic Rings
PSA
23.0629
0.271
141.211
1
2
0
2
0
0.153

Toxicity

Energy
Prediction
Applicability
Probablity
Enrichment
Score
23.0629
Non-Mutagen
All properties and OPS components are within expected ranges.
0.468555
0.839145
-8.2157

ADMET

Energy
23.0629
Solubility
-0.731
Solubility_Level
4
Unknown_AlogP98
0
BBB_Level
-0.453
EXT_CYP2D6
2
Prediction
-4.15925
Applicability
Applicability_MD
All properties and OPS components are within expected ranges.
Applicability_Mdpvalue
11.4563
Hepatotoxic
0.00915714
Hepatotoxic Prediction
-8.40255
Hepatotoxic_Applicability
Hepatotoxic_Applicability MD
All properties and OPS components are within expected ranges.
Hepatotoxic_Applicability MDpvalue
7.2862
Absorption_Level
0.98618
EXT_PPB
1
EXT_PPB Prediction
-8.85684
PPB_Applicability
PPB_Applicability MD
All properties and OPS components are within expected ranges.
PPB_Applicability Mdpvalue
9.12848
ADMET_AlogP98
0.994376
ADMET_PSA_2D
0.271
ADMET_BBB
24.167

Ligand Efficency

Energy
Energy/LEHA
23.0629
2.30629

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