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

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Chemoinformaics analysis of HOVENOSIDE D


Physiochemical Properties
Molecular Weight 1193.34 nRot 13
Heavy Atom Molecular Weight 1100.6 nRig 59
Exact Molecular Weight 1192.59 nRing 11
Solubility: LogS -0.849 nHRing 7
Solubility: LogP -0.982 No. of Aliphatic Rings 11
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 175 No. of Aliphatic Hetero Cycles 7
No. of Heavy Atom 83 No. of Aromatic Carbocycles 0
nHetero 26 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 4
No. of Hydrogen atom 92 No. of Saturated Hetero Cycles 7
No. of Carbon atom 57 No. of Saturated Rings 11
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 26 No. of Arom Bond 0
nHA 26 APOL 177.387
nHD 14 BPOL 113.127
Medicinal Chemistry Properties
QED 0.064
Synth 7.698
Natural Product Likeliness 2.17
NR-PPAR-gamma 0.654
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.981
Pgp-sub 0.086
HIA 1
CACO-2 -6.062
Distribution
MDCK 0.00026001
BBB 0.107
PPB 0.432146
VDSS -0.763
Metabolism
FU 0.143352
CYP1A2-inh 0
CYP1A2-sub 0.077
CYP2c19-inh 0
CYP2c19-sub 0.07
CYP2c9-inh 0
CYP2c9-sub 0.015
CYP2d6-inh 0
CYP2d6-sub 0.052
CYP3a4-inh 0.013
CYP3a4-sub 0.002
Excretion
CL -0.287
T12 0.013
Toxicity
hERG 0.007
Ames 0.093
ROA 0.829
SkinSen 0.002
Carcinogencity 0.008
EI 0.001
Respiratory 0.017
NR-Aromatase 0.678
Antiviral Prediction
Antiviral Yes
Prediction 0.874328
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A database of all the medicinal plants having PAN India presence.
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