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

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Chemoinformaics analysis of ARCHANGELIN


Physiochemical Properties
Molecular Weight 338.403 nRot 3
Heavy Atom Molecular Weight 316.227 nRig 22
Exact Molecular Weight 338.152 nRing 4
Solubility: LogS -6.135 nHRing 2
Solubility: LogP 5.535 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 47 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 4 No. of Arom Bond 15
nHA 4 APOL 52.9474
nHD 0 BPOL 28.1466
Medicinal Chemistry Properties
QED 0.471
Synth 3.015
Natural Product Likeliness 1.153
NR-PPAR-gamma 0.098
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.995
Pgp-sub 0.025
HIA 0.004
CACO-2 -4.792
Distribution
MDCK 0.0000214
BBB 0.003
PPB 0.926749
VDSS 3.316
Metabolism
FU 0.0641316
CYP1A2-inh 0.907
CYP1A2-sub 0.851
CYP2c19-inh 0.862
CYP2c19-sub 0.144
CYP2c9-inh 0.674
CYP2c9-sub 0.899
CYP2d6-inh 0.571
CYP2d6-sub 0.887
CYP3a4-inh 0.567
CYP3a4-sub 0.225
Excretion
CL 11.565
T12 0.102
Toxicity
hERG 0.061
Ames 0.041
ROA 0.698
SkinSen 0.106
Carcinogencity 0.819
EI 0.3
Respiratory 0.327
NR-Aromatase 0.095
Antiviral Prediction
Antiviral Yes
Prediction 0.687789
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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  • Aromatic–Aromatic Interactions Database (A2ID)
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