OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of STROPHADOGENIN


Physiochemical Properties
Molecular Weight 420.502 nRot 2
Heavy Atom Molecular Weight 388.246 nRig 26
Exact Molecular Weight 420.215 nRing 5
Solubility: LogS -2.758 nHRing 1
Solubility: LogP 0.321 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 62 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 30 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 7 APOL 65.3614
nHD 4 BPOL 35.5746
Medicinal Chemistry Properties
QED 0.461
Synth 5.211
Natural Product Likeliness 2.678
NR-PPAR-gamma 0.835
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.518
HIA 0.88
CACO-2 -5.873
Distribution
MDCK 0.0000139
BBB 0.939
PPB 0.644436
VDSS 0.822
Metabolism
FU 0.254087
CYP1A2-inh 0.004
CYP1A2-sub 0.635
CYP2c19-inh 0.006
CYP2c19-sub 0.308
CYP2c9-inh 0.022
CYP2c9-sub 0.235
CYP2d6-inh 0.004
CYP2d6-sub 0.102
CYP3a4-inh 0.44
CYP3a4-sub 0.235
Excretion
CL 13.464
T12 0.119
Toxicity
hERG 0.063
Ames 0.03
ROA 0.994
SkinSen 0.427
Carcinogencity 0.45
EI 0.008
Respiratory 0.501
NR-Aromatase 0.931
Antiviral Prediction
Antiviral Yes
Prediction 0.68943
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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