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

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Chemoinformaics analysis of VERONICOSIDE


Physiochemical Properties
Molecular Weight 466.439 nRot 6
Heavy Atom Molecular Weight 440.231 nRig 25
Exact Molecular Weight 466.148 nRing 5
Solubility: LogS -1.539 nHRing 3
Solubility: LogP -0.329 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 59 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 33 No. of Aromatic Carbocycles 1
nHetero 11 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 11 No. of Arom Bond 6
nHA 11 APOL 62.8986
nHD 5 BPOL 35.6314
Medicinal Chemistry Properties
QED 0.239
Synth 4.802
Natural Product Likeliness 2.669
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.174
HIA 0.944
CACO-2 -5.942
Distribution
MDCK 0.000134069
BBB 0.433
PPB 0.260608
VDSS 0.582
Metabolism
FU 0.4513
CYP1A2-inh 0.007
CYP1A2-sub 0.038
CYP2c19-inh 0.006
CYP2c19-sub 0.069
CYP2c9-inh 0.001
CYP2c9-sub 0.044
CYP2d6-inh 0.003
CYP2d6-sub 0.123
CYP3a4-inh 0.021
CYP3a4-sub 0.153
Excretion
CL 2.01
T12 0.37
Toxicity
hERG 0.042
Ames 0.078
ROA 0.931
SkinSen 0.024
Carcinogencity 0.777
EI 0.005
Respiratory 0.58
NR-Aromatase 0.012
Antiviral Prediction
Antiviral Yes
Prediction 0.803192
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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  • Aromatic–Aromatic Interactions Database (A2ID)
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