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

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Chemoinformaics analysis of Psilostachyin


Physiochemical Properties
Molecular Weight 280.32 nRot 0
Heavy Atom Molecular Weight 260.16 nRig 19
Exact Molecular Weight 280.131 nRing 3
Solubility: LogS -3.161 nHRing 2
Solubility: LogP 1.438 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 40 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 2
No. of Carbon atom 15 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 42.3959
nHD 1 BPOL 25.2721
Medicinal Chemistry Properties
QED 0.535
Synth 5.023
Natural Product Likeliness 3.454
NR-PPAR-gamma 0.642
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.011
Pgp-sub 0.001
HIA 0.014
CACO-2 -4.936
Distribution
MDCK 0.0000191
BBB 0.633
PPB 0.388776
VDSS 0.814
Metabolism
FU 0.720941
CYP1A2-inh 0.493
CYP1A2-sub 0.191
CYP2c19-inh 0.126
CYP2c19-sub 0.237
CYP2c9-inh 0.078
CYP2c9-sub 0.078
CYP2d6-inh 0.013
CYP2d6-sub 0.07
CYP3a4-inh 0.252
CYP3a4-sub 0.254
Excretion
CL 8.46
T12 0.773
Toxicity
hERG 0.014
Ames 0.053
ROA 0.534
SkinSen 0.921
Carcinogencity 0.77
EI 0.267
Respiratory 0.926
NR-Aromatase 0.545
Antiviral Prediction
Antiviral Yes
Prediction 0.781839
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A database of all the medicinal plants having PAN India presence.
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