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

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Chemoinformaics analysis of ARTEMISIA-ALCOHOL


Physiochemical Properties
Molecular Weight 154.253 nRot 3
Heavy Atom Molecular Weight 136.109 nRig 2
Exact Molecular Weight 154.136 nRing 0
Solubility: LogS -2.542 nHRing 0
Solubility: LogP 3.156 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 29.5043
nHD 1 BPOL 18.0577
Medicinal Chemistry Properties
QED 0.619
Synth 3.761
Natural Product Likeliness 2.354
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.054
Pgp-sub 0.013
HIA 0.011
CACO-2 -4.345
Distribution
MDCK 0.0000201
BBB 0.783
PPB 0.801028
VDSS 1.829
Metabolism
FU 0.239101
CYP1A2-inh 0.141
CYP1A2-sub 0.323
CYP2c19-inh 0.095
CYP2c19-sub 0.854
CYP2c9-inh 0.037
CYP2c9-sub 0.895
CYP2d6-inh 0.021
CYP2d6-sub 0.64
CYP3a4-inh 0.021
CYP3a4-sub 0.325
Excretion
CL 7.323
T12 0.37
Toxicity
hERG 0.008
Ames 0.008
ROA 0.043
SkinSen 0.113
Carcinogencity 0.056
EI 0.957
Respiratory 0.382
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.94098
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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