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

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Chemoinformaics analysis of Cerasin


Physiochemical Properties
Molecular Weight 330.336 nRot 6
Heavy Atom Molecular Weight 312.192 nRig 14
Exact Molecular Weight 330.11 nRing 2
Solubility: LogS -4.482 nHRing 0
Solubility: LogP 3.129 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 6 APOL 46.8743
nHD 2 BPOL 24.1337
Medicinal Chemistry Properties
QED 0.625
Synth 2.272
Natural Product Likeliness 0.69
NR-PPAR-gamma 0.964
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.785
HIA 0.018
CACO-2 -4.854
Distribution
MDCK 0.0000145
BBB 0.051
PPB 0.959255
VDSS 0.474
Metabolism
FU 0.0306152
CYP1A2-inh 0.975
CYP1A2-sub 0.931
CYP2c19-inh 0.841
CYP2c19-sub 0.154
CYP2c9-inh 0.574
CYP2c9-sub 0.976
CYP2d6-inh 0.713
CYP2d6-sub 0.926
CYP3a4-inh 0.902
CYP3a4-sub 0.232
Excretion
CL 12.39
T12 0.827
Toxicity
hERG 0.084
Ames 0.416
ROA 0.279
SkinSen 0.766
Carcinogencity 0.353
EI 0.974
Respiratory 0.697
NR-Aromatase 0.839
Antiviral Prediction
Antiviral Yes
Prediction 0.807577
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A database of all the medicinal plants having PAN India presence.
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