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

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Chemoinformaics analysis of CORONARIAN


Physiochemical Properties
Molecular Weight 382.278 nRot 9
Heavy Atom Molecular Weight 364.134 nRig 10
Exact Molecular Weight 382.086 nRing 1
Solubility: LogS -0.884 nHRing 1
Solubility: LogP -1.139 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 26 No. of Aromatic Carbocycles 0
nHetero 14 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 12 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 12 No. of Arom Bond 0
nHA 12 APOL 43.8663
nHD 3 BPOL 27.3337
Medicinal Chemistry Properties
QED 0.21
Synth 4.354
Natural Product Likeliness 1.463
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0.796
HIA 0.995
CACO-2 -5.877
Distribution
MDCK 0.000289563
BBB 0.655
PPB 0.193674
VDSS 0.36
Metabolism
FU 0.660315
CYP1A2-inh 0.003
CYP1A2-sub 0.024
CYP2c19-inh 0.023
CYP2c19-sub 0.056
CYP2c9-inh 0.003
CYP2c9-sub 0.13
CYP2d6-inh 0.005
CYP2d6-sub 0.102
CYP3a4-inh 0.012
CYP3a4-sub 0.023
Excretion
CL 2.952
T12 0.929
Toxicity
hERG 0.29
Ames 0.357
ROA 0.049
SkinSen 0.457
Carcinogencity 0.166
EI 0.01
Respiratory 0.016
NR-Aromatase 0.007
Antiviral Prediction
Antiviral Yes
Prediction 0.827512
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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