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

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Chemoinformaics analysis of ANGUSTIDINE


Physiochemical Properties
Molecular Weight 301.349 nRot 0
Heavy Atom Molecular Weight 286.229 nRig 26
Exact Molecular Weight 301.122 nRing 5
Solubility: LogS -4.84 nHRing 4
Solubility: LogP 3.68 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 3
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 19
No. of Oxygen atom 1 No. of Arom Bond 21
nHA 3 APOL 45.8339
nHD 1 BPOL 19.3361
Medicinal Chemistry Properties
QED 0.541
Synth 2.643
Natural Product Likeliness -0.013
NR-PPAR-gamma 0.014
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.968
Pgp-sub 0.017
HIA 0.004
CACO-2 -5.008
Distribution
MDCK 0.000013
BBB 0.757
PPB 0.94733
VDSS 1.111
Metabolism
FU 0.0236475
CYP1A2-inh 0.959
CYP1A2-sub 0.915
CYP2c19-inh 0.619
CYP2c19-sub 0.108
CYP2c9-inh 0.475
CYP2c9-sub 0.757
CYP2d6-inh 0.666
CYP2d6-sub 0.91
CYP3a4-inh 0.591
CYP3a4-sub 0.267
Excretion
CL 4.998
T12 0.221
Toxicity
hERG 0.384
Ames 0.927
ROA 0.188
SkinSen 0.435
Carcinogencity 0.844
EI 0.104
Respiratory 0.964
NR-Aromatase 0.894
Antiviral Prediction
Antiviral Yes
Prediction 0.583944
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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