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

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Chemoinformaics analysis of STYPANDROL


Physiochemical Properties
Molecular Weight 430.456 nRot 3
Heavy Atom Molecular Weight 408.28 nRig 24
Exact Molecular Weight 430.142 nRing 4
Solubility: LogS -3.43 nHRing 0
Solubility: LogP 5.951 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 54 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 32 No. of Aromatic Carbocycles 4
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 26 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 20
No. of Oxygen atom 6 No. of Arom Bond 22
nHA 6 APOL 62.9014
nHD 4 BPOL 23.8066
Medicinal Chemistry Properties
QED 0.319
Synth 2.867
Natural Product Likeliness 0.694
NR-PPAR-gamma 0.921
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.099
Pgp-sub 0.001
HIA 0.305
CACO-2 -5.393
Distribution
MDCK 0.0000105
BBB 0.001
PPB 0.991246
VDSS 0.346
Metabolism
FU 0.0152242
CYP1A2-inh 0.844
CYP1A2-sub 0.313
CYP2c19-inh 0.624
CYP2c19-sub 0.055
CYP2c9-inh 0.628
CYP2c9-sub 0.427
CYP2d6-inh 0.072
CYP2d6-sub 0.19
CYP3a4-inh 0.088
CYP3a4-sub 0.12
Excretion
CL 1.389
T12 0.181
Toxicity
hERG 0.017
Ames 0.653
ROA 0.144
SkinSen 0.919
Carcinogencity 0.807
EI 0.889
Respiratory 0.631
NR-Aromatase 0.055
Antiviral Prediction
Antiviral Yes
Prediction 0.6309
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A database of all the medicinal plants having PAN India presence.
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