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

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Chemoinformaics analysis of SOPHORAFLAVONOLOSIDE


Physiochemical Properties
Molecular Weight 610.521 nRot 7
Heavy Atom Molecular Weight 580.281 nRig 30
Exact Molecular Weight 610.153 nRing 5
Solubility: LogS -3.307 nHRing 3
Solubility: LogP -0.554 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 73 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 43 No. of Aromatic Carbocycles 2
nHetero 16 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 16 No. of Arom Bond 17
nHA 16 APOL 77.9258
nHD 10 BPOL 39.6442
Medicinal Chemistry Properties
QED 0.133
Synth 4.684
Natural Product Likeliness 1.858
NR-PPAR-gamma 0.232
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.009
Pgp-sub 0.921
HIA 0.87
CACO-2 -6.463
Distribution
MDCK 0.0000204
BBB 0.116
PPB 0.840417
VDSS 0.634
Metabolism
FU 0.181394
CYP1A2-inh 0.06
CYP1A2-sub 0.019
CYP2c19-inh 0.014
CYP2c19-sub 0.05
CYP2c9-inh 0.003
CYP2c9-sub 0.123
CYP2d6-inh 0.025
CYP2d6-sub 0.122
CYP3a4-inh 0.027
CYP3a4-sub 0.006
Excretion
CL 1.298
T12 0.868
Toxicity
hERG 0.432
Ames 0.722
ROA 0.032
SkinSen 0.392
Carcinogencity 0.064
EI 0.062
Respiratory 0.009
NR-Aromatase 0.844
Antiviral Prediction
Antiviral Yes
Prediction 0.795319
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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