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

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Chemoinformaics analysis of Corniculatusin


Physiochemical Properties
Molecular Weight 332.264 nRot 2
Heavy Atom Molecular Weight 320.168 nRig 18
Exact Molecular Weight 332.053 nRing 3
Solubility: LogS -3.862 nHRing 1
Solubility: LogP 2.034 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 8 No. of Arom Bond 17
nHA 8 APOL 41.1375
nHD 5 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.449
Synth 2.712
Natural Product Likeliness 1.829
NR-PPAR-gamma 0.945
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.025
Pgp-sub 0.002
HIA 0.046
CACO-2 -5.277
Distribution
MDCK 0.0000096
BBB 0.004
PPB 0.943053
VDSS 0.628
Metabolism
FU 0.124021
CYP1A2-inh 0.913
CYP1A2-sub 0.493
CYP2c19-inh 0.033
CYP2c19-sub 0.045
CYP2c9-inh 0.611
CYP2c9-sub 0.472
CYP2d6-inh 0.072
CYP2d6-sub 0.176
CYP3a4-inh 0.16
CYP3a4-sub 0.051
Excretion
CL 8.174
T12 0.925
Toxicity
hERG 0.051
Ames 0.76
ROA 0.086
SkinSen 0.884
Carcinogencity 0.055
EI 0.921
Respiratory 0.076
NR-Aromatase 0.871
Antiviral Prediction
Antiviral Yes
Prediction 0.862991
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