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

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Chemoinformaics analysis of  Panaxan-L


Physiochemical Properties
Molecular Weight 350.127 nRot 2
Heavy Atom Molecular Weight 342.063 nRig 16
Exact Molecular Weight 349 nRing 3
Solubility: LogS -4.475 nHRing 2
Solubility: LogP 3.063 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 1
No. of Nitrogen atom 3 No. of Arom Atom 10
No. of Oxygen atom 1 No. of Arom Bond 11
nHA 3 APOL 37.1773
nHD 1 BPOL 16.1027
Medicinal Chemistry Properties
QED 0.801
Synth 4.424
Natural Product Likeliness -0.738
NR-PPAR-gamma 0.029
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0
HIA 0.003
CACO-2 -4.661
Distribution
MDCK 0.0000204
BBB 0.414
PPB 0.983996
VDSS 1.82
Metabolism
FU 0.00939412
CYP1A2-inh 0.94
CYP1A2-sub 0.96
CYP2c19-inh 0.503
CYP2c19-sub 0.632
CYP2c9-inh 0.862
CYP2c9-sub 0.924
CYP2d6-inh 0.292
CYP2d6-sub 0.525
CYP3a4-inh 0.358
CYP3a4-sub 0.628
Excretion
CL 7.876
T12 0.235
Toxicity
hERG 0.192
Ames 0.017
ROA 0.102
SkinSen 0.094
Carcinogencity 0.618
EI 0.008
Respiratory 0.939
NR-Aromatase 0.939
Antiviral Prediction
Antiviral Yes
Prediction 0.759976
OSADHI

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