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

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Chemoinformaics analysis of VERPROSIDE


Physiochemical Properties
Molecular Weight 498.437 nRot 6
Heavy Atom Molecular Weight 472.229 nRig 25
Exact Molecular Weight 498.137 nRing 5
Solubility: LogS -1.415 nHRing 3
Solubility: LogP -1.178 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 61 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 35 No. of Aromatic Carbocycles 1
nHetero 13 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 26 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 6
No. of Oxygen atom 13 No. of Arom Bond 6
nHA 13 APOL 64.5026
nHD 7 BPOL 35.6314
Medicinal Chemistry Properties
QED 0.125
Synth 4.987
Natural Product Likeliness 2.759
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.705
HIA 0.963
CACO-2 -6.38
Distribution
MDCK 0.000133695
BBB 0.692
PPB 0.463774
VDSS 0.334
Metabolism
FU 0.533896
CYP1A2-inh 0.007
CYP1A2-sub 0.033
CYP2c19-inh 0.006
CYP2c19-sub 0.061
CYP2c9-inh 0.001
CYP2c9-sub 0.129
CYP2d6-inh 0.003
CYP2d6-sub 0.157
CYP3a4-inh 0.051
CYP3a4-sub 0.056
Excretion
CL 2.215
T12 0.682
Toxicity
hERG 0.024
Ames 0.085
ROA 0.897
SkinSen 0.018
Carcinogencity 0.807
EI 0.005
Respiratory 0.364
NR-Aromatase 0.029
Antiviral Prediction
Antiviral Yes
Prediction 0.78228
OSADHI

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