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

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Chemoinformaics analysis of MICROPUBESCIN


Physiochemical Properties
Molecular Weight 258.273 nRot 4
Heavy Atom Molecular Weight 244.161 nRig 14
Exact Molecular Weight 258.089 nRing 2
Solubility: LogS -4.106 nHRing 1
Solubility: LogP 2.213 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 4 APOL 37.5931
nHD 0 BPOL 19.2529
Medicinal Chemistry Properties
QED 0.482
Synth 2.516
Natural Product Likeliness 1.222
NR-PPAR-gamma 0.314
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.007
Pgp-sub 0.01
HIA 0.005
CACO-2 -4.638
Distribution
MDCK 0.000022
BBB 0.023
PPB 0.842224
VDSS 0.856
Metabolism
FU 0.0896841
CYP1A2-inh 0.976
CYP1A2-sub 0.951
CYP2c19-inh 0.807
CYP2c19-sub 0.438
CYP2c9-inh 0.728
CYP2c9-sub 0.866
CYP2d6-inh 0.749
CYP2d6-sub 0.854
CYP3a4-inh 0.766
CYP3a4-sub 0.344
Excretion
CL 11.991
T12 0.681
Toxicity
hERG 0.01
Ames 0.668
ROA 0.226
SkinSen 0.507
Carcinogencity 0.857
EI 0.752
Respiratory 0.965
NR-Aromatase 0.708
Antiviral Prediction
Antiviral Yes
Prediction 0.677979
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

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