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

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Chemoinformaics analysis of PANAXYNE-EPOXIDE


Physiochemical Properties
Molecular Weight 202.297 nRot 7
Heavy Atom Molecular Weight 184.153 nRig 6
Exact Molecular Weight 202.136 nRing 1
Solubility: LogS -4.47 nHRing 1
Solubility: LogP 4.352 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 1 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 14 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 36.1843
nHD 0 BPOL 19.7937
Medicinal Chemistry Properties
QED 0.268
Synth 4.03
Natural Product Likeliness 2.63
NR-PPAR-gamma 0.372
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.012
CACO-2 -4.114
Distribution
MDCK 0.0000474
BBB 0.037
PPB 0.964404
VDSS 1.941
Metabolism
FU 0.0110003
CYP1A2-inh 0.439
CYP1A2-sub 0.792
CYP2c19-inh 0.896
CYP2c19-sub 0.834
CYP2c9-inh 0.799
CYP2c9-sub 0.942
CYP2d6-inh 0.091
CYP2d6-sub 0.852
CYP3a4-inh 0.818
CYP3a4-sub 0.186
Excretion
CL 8.921
T12 0.124
Toxicity
hERG 0.008
Ames 0.313
ROA 0.075
SkinSen 0.958
Carcinogencity 0.827
EI 0.993
Respiratory 0.922
NR-Aromatase 0.776
Antiviral Prediction
Antiviral Yes
Prediction 0.56842
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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