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

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Chemoinformaics analysis of Veprisone


Physiochemical Properties
Molecular Weight 486.561 nRot 3
Heavy Atom Molecular Weight 452.289 nRig 30
Exact Molecular Weight 486.225 nRing 6
Solubility: LogS -4.756 nHRing 4
Solubility: LogP 2.968 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 69 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 35 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 3
No. of Carbon atom 27 No. of Saturated Rings 5
No. of Nitrogen atom 0 No. of Arom Atom 5
No. of Oxygen atom 8 No. of Arom Bond 5
nHA 8 APOL 74.177
nHD 0 BPOL 45.393
Medicinal Chemistry Properties
QED 0.47
Synth 5.667
Natural Product Likeliness 2.896
NR-PPAR-gamma 0.661
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.998
Pgp-sub 0
HIA 0.02
CACO-2 -5.233
Distribution
MDCK 0.0000494
BBB 0.983
PPB 0.785516
VDSS 1.547
Metabolism
FU 0.290842
CYP1A2-inh 0.008
CYP1A2-sub 0.508
CYP2c19-inh 0.07
CYP2c19-sub 0.857
CYP2c9-inh 0.172
CYP2c9-sub 0.027
CYP2d6-inh 0.01
CYP2d6-sub 0.237
CYP3a4-inh 0.493
CYP3a4-sub 0.722
Excretion
CL 14.177
T12 0.072
Toxicity
hERG 0.002
Ames 0.06
ROA 0.982
SkinSen 0.034
Carcinogencity 0.266
EI 0.165
Respiratory 0.982
NR-Aromatase 0.82
Antiviral Prediction
Antiviral Yes
Prediction 0.827018
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A database of all the medicinal plants having PAN India presence.
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