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

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Chemoinformaics analysis of Androsin


Physiochemical Properties
Molecular Weight 328.317 nRot 5
Heavy Atom Molecular Weight 308.157 nRig 13
Exact Molecular Weight 328.116 nRing 2
Solubility: LogS -1.374 nHRing 1
Solubility: LogP -0.596 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 15 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 8 No. of Arom Bond 6
nHA 8 APOL 44.8019
nHD 4 BPOL 26.1401
Medicinal Chemistry Properties
QED 0.511
Synth 3.358
Natural Product Likeliness 1.421
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.222
HIA 0.846
CACO-2 -5.552
Distribution
MDCK 0.000164734
BBB 0.747
PPB 0.29959
VDSS 0.35
Metabolism
FU 0.531179
CYP1A2-inh 0.033
CYP1A2-sub 0.113
CYP2c19-inh 0.012
CYP2c19-sub 0.596
CYP2c9-inh 0.001
CYP2c9-sub 0.423
CYP2d6-inh 0.003
CYP2d6-sub 0.323
CYP3a4-inh 0.006
CYP3a4-sub 0.056
Excretion
CL 2.238
T12 0.615
Toxicity
hERG 0.042
Ames 0.218
ROA 0.032
SkinSen 0.028
Carcinogencity 0.191
EI 0.013
Respiratory 0.01
NR-Aromatase 0.017
Antiviral Prediction
Antiviral Yes
Prediction 0.667808
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A database of all the medicinal plants having PAN India presence.
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