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

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Chemoinformaics analysis of VERANISATIN C


Physiochemical Properties
Molecular Weight 372.326 nRot 1
Heavy Atom Molecular Weight 352.166 nRig 21
Exact Molecular Weight 372.106 nRing 4
Solubility: LogS -2.013 nHRing 2
Solubility: LogP -0.287 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 46 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 26 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 2
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 2
No. of Carbon atom 16 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 10 No. of Arom Bond 0
nHA 10 APOL 48.0759
nHD 4 BPOL 27.8761
Medicinal Chemistry Properties
QED 0.355
Synth 6.811
Natural Product Likeliness 2.686
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0.929
HIA 0.627
CACO-2 -5.794
Distribution
MDCK 0.000184741
BBB 0.383
PPB 0.183559
VDSS 0.602
Metabolism
FU 0.792368
CYP1A2-inh 0.003
CYP1A2-sub 0.956
CYP2c19-inh 0.012
CYP2c19-sub 0.825
CYP2c9-inh 0.002
CYP2c9-sub 0.052
CYP2d6-inh 0.001
CYP2d6-sub 0.092
CYP3a4-inh 0.011
CYP3a4-sub 0.571
Excretion
CL 1.904
T12 0.144
Toxicity
hERG 0.009
Ames 0.39
ROA 0.996
SkinSen 0.01
Carcinogencity 0.171
EI 0.021
Respiratory 0.355
NR-Aromatase 0.948
Antiviral Prediction
Antiviral Yes
Prediction 0.632305
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A database of all the medicinal plants having PAN India presence.
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