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

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Chemoinformaics analysis of PALLIDOL


Physiochemical Properties
Molecular Weight 454.478 nRot 2
Heavy Atom Molecular Weight 432.302 nRig 31
Exact Molecular Weight 454.142 nRing 6
Solubility: LogS -4.375 nHRing 0
Solubility: LogP 4.397 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 56 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 34 No. of Aromatic Carbocycles 4
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 28 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 24
No. of Oxygen atom 6 No. of Arom Bond 24
nHA 6 APOL 66.2414
nHD 6 BPOL 22.0706
Medicinal Chemistry Properties
QED 0.251
Synth 3.793
Natural Product Likeliness 0.871
NR-PPAR-gamma 0.415
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.559
Pgp-sub 0.004
HIA 0.944
CACO-2 -5.93
Distribution
MDCK 0.00000559
BBB 0.009
PPB 0.98466
VDSS 0.31
Metabolism
FU 0.0331228
CYP1A2-inh 0.242
CYP1A2-sub 0.747
CYP2c19-inh 0.924
CYP2c19-sub 0.058
CYP2c9-inh 0.879
CYP2c9-sub 0.993
CYP2d6-inh 0.635
CYP2d6-sub 0.521
CYP3a4-inh 0.436
CYP3a4-sub 0.446
Excretion
CL 8.324
T12 0.735
Toxicity
hERG 0.154
Ames 0.474
ROA 0.628
SkinSen 0.93
Carcinogencity 0.023
EI 0.89
Respiratory 0.119
NR-Aromatase 0.926
Antiviral Prediction
Antiviral Yes
Prediction 0.71863
OSADHI

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