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

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Chemoinformaics analysis of 7-HYDROXYCONESSINE


Physiochemical Properties
Molecular Weight 372.597 nRot 1
Heavy Atom Molecular Weight 332.277 nRig 24
Exact Molecular Weight 372.314 nRing 5
Solubility: LogS -2.977 nHRing 1
Solubility: LogP 3.076 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 4
Atoms Count 67 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 40 No. of Saturated Hetero Cycles 1
No. of Carbon atom 24 No. of Saturated Rings 4
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 3 APOL 69.7537
nHD 1 BPOL 43.5483
Medicinal Chemistry Properties
QED 0.71
Synth 5.217
Natural Product Likeliness 2.605
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.004
HIA 0.035
CACO-2 -5.061
Distribution
MDCK 0.00000488
BBB 0.53
PPB 0.506831
VDSS 1.659
Metabolism
FU 0.520383
CYP1A2-inh 0.014
CYP1A2-sub 0.16
CYP2c19-inh 0.01
CYP2c19-sub 0.991
CYP2c9-inh 0.007
CYP2c9-sub 0.07
CYP2d6-inh 0.537
CYP2d6-sub 0.932
CYP3a4-inh 0.018
CYP3a4-sub 0.91
Excretion
CL 17.562
T12 0.039
Toxicity
hERG 0.075
Ames 0.011
ROA 0.178
SkinSen 0.015
Carcinogencity 0.173
EI 0.005
Respiratory 0.978
NR-Aromatase 0.002
Antiviral Prediction
Antiviral No
Prediction 0.664946
OSADHI

A database of all the medicinal plants having PAN India presence.
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