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

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Chemoinformaics analysis of VICOLIDE C


Physiochemical Properties
Molecular Weight 440.489 nRot 4
Heavy Atom Molecular Weight 408.233 nRig 20
Exact Molecular Weight 440.205 nRing 3
Solubility: LogS -3.11 nHRing 2
Solubility: LogP 1.37 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 63 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 31 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 22 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 9 No. of Arom Bond 0
nHA 9 APOL 65.2954
nHD 2 BPOL 41.6506
Medicinal Chemistry Properties
QED 0.283
Synth 5.462
Natural Product Likeliness 2.804
NR-PPAR-gamma 0.153
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.031
Pgp-sub 0.003
HIA 0.941
CACO-2 -5.091
Distribution
MDCK 0.0000927
BBB 0.207
PPB 0.314567
VDSS 0.644
Metabolism
FU 0.577782
CYP1A2-inh 0.021
CYP1A2-sub 0.07
CYP2c19-inh 0.009
CYP2c19-sub 0.102
CYP2c9-inh 0.01
CYP2c9-sub 0.037
CYP2d6-inh 0.243
CYP2d6-sub 0.11
CYP3a4-inh 0.147
CYP3a4-sub 0.222
Excretion
CL 9.642
T12 0.163
Toxicity
hERG 0.048
Ames 0.02
ROA 0.95
SkinSen 0.1
Carcinogencity 0.056
EI 0.007
Respiratory 0.938
NR-Aromatase 0.01
Antiviral Prediction
Antiviral Yes
Prediction 0.82936
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A database of all the medicinal plants having PAN India presence.
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