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

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Chemoinformaics analysis of SOPHORAFLAVANONE-G


Physiochemical Properties
Molecular Weight 424.493 nRot 6
Heavy Atom Molecular Weight 396.269 nRig 20
Exact Molecular Weight 424.189 nRing 3
Solubility: LogS -3.472 nHRing 1
Solubility: LogP 5.663 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 59 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 25 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 65.2322
nHD 4 BPOL 30.6938
Medicinal Chemistry Properties
QED 0.468
Synth 3.956
Natural Product Likeliness 2.613
NR-PPAR-gamma 0.952
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.093
Pgp-sub 0.004
HIA 0.012
CACO-2 -4.813
Distribution
MDCK 0.0000119
BBB 0.006
PPB 0.981951
VDSS 0.449
Metabolism
FU 0.0118136
CYP1A2-inh 0.741
CYP1A2-sub 0.83
CYP2c19-inh 0.854
CYP2c19-sub 0.062
CYP2c9-inh 0.893
CYP2c9-sub 0.957
CYP2d6-inh 0.915
CYP2d6-sub 0.64
CYP3a4-inh 0.436
CYP3a4-sub 0.182
Excretion
CL 15.91
T12 0.435
Toxicity
hERG 0.052
Ames 0.031
ROA 0.672
SkinSen 0.934
Carcinogencity 0.415
EI 0.901
Respiratory 0.759
NR-Aromatase 0.52
Antiviral Prediction
Antiviral Yes
Prediction 0.703964
OSADHI

A database of all the medicinal plants having PAN India presence.
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