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

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Chemoinformaics analysis of CODONOPSINE


Physiochemical Properties
Molecular Weight 267.325 nRot 3
Heavy Atom Molecular Weight 246.157 nRig 11
Exact Molecular Weight 267.147 nRing 2
Solubility: LogS -1.332 nHRing 1
Solubility: LogP 0.751 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 40 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 19 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 1
No. of Carbon atom 14 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 5 APOL 41.6907
nHD 2 BPOL 26.2493
Medicinal Chemistry Properties
QED 0.848
Synth 3.424
Natural Product Likeliness 0.905
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.005
Pgp-sub 0.229
HIA 0.278
CACO-2 -5.014
Distribution
MDCK 0.0000399
BBB 0.647
PPB 0.280766
VDSS 3.655
Metabolism
FU 0.626751
CYP1A2-inh 0.03
CYP1A2-sub 0.79
CYP2c19-inh 0.021
CYP2c19-sub 0.935
CYP2c9-inh 0.005
CYP2c9-sub 0.497
CYP2d6-inh 0.028
CYP2d6-sub 0.877
CYP3a4-inh 0.012
CYP3a4-sub 0.842
Excretion
CL 9.77
T12 0.76
Toxicity
hERG 0.018
Ames 0.013
ROA 0.773
SkinSen 0.04
Carcinogencity 0.036
EI 0.008
Respiratory 0.945
NR-Aromatase 0.002
Antiviral Prediction
Antiviral Yes
Prediction 0.90264
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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