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

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Chemoinformaics analysis of ARTESIN


Physiochemical Properties
Molecular Weight 282.336 nRot 0
Heavy Atom Molecular Weight 260.16 nRig 20
Exact Molecular Weight 282.147 nRing 5
Solubility: LogS -4.713 nHRing 4
Solubility: LogP 3.161 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 42 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 4
No. of Carbon atom 15 No. of Saturated Rings 5
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 43.7294
nHD 0 BPOL 28.1466
Medicinal Chemistry Properties
QED 0.504
Synth 5.668
Natural Product Likeliness 3.839
NR-PPAR-gamma 0.013
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.494
Pgp-sub 0
HIA 0.002
CACO-2 -4.705
Distribution
MDCK 0.0000533
BBB 0.783
PPB 0.768927
VDSS 1.965
Metabolism
FU 0.212155
CYP1A2-inh 0.104
CYP1A2-sub 0.966
CYP2c19-inh 0.038
CYP2c19-sub 0.918
CYP2c9-inh 0.038
CYP2c9-sub 0.072
CYP2d6-inh 0.017
CYP2d6-sub 0.787
CYP3a4-inh 0.156
CYP3a4-sub 0.446
Excretion
CL 15.543
T12 0.068
Toxicity
hERG 0.664
Ames 0.583
ROA 0.263
SkinSen 0.202
Carcinogencity 0.838
EI 0.011
Respiratory 0.962
NR-Aromatase 0.031
Antiviral Prediction
Antiviral Yes
Prediction 0.860533
OSADHI

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

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