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

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Chemoinformaics analysis of VISAMMINOL


Physiochemical Properties
Molecular Weight 276.288 nRot 1
Heavy Atom Molecular Weight 260.16 nRig 16
Exact Molecular Weight 276.1 nRing 3
Solubility: LogS -2.821 nHRing 2
Solubility: LogP 2.453 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 5 No. of Arom Bond 11
nHA 5 APOL 39.7287
nHD 2 BPOL 20.3913
Medicinal Chemistry Properties
QED 0.831
Synth 3.474
Natural Product Likeliness 2.76
NR-PPAR-gamma 0.957
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.011
Pgp-sub 0.004
HIA 0.015
CACO-2 -4.797
Distribution
MDCK 0.0000147
BBB 0.029
PPB 0.843738
VDSS 0.791
Metabolism
FU 0.141258
CYP1A2-inh 0.687
CYP1A2-sub 0.838
CYP2c19-inh 0.071
CYP2c19-sub 0.685
CYP2c9-inh 0.166
CYP2c9-sub 0.879
CYP2d6-inh 0.11
CYP2d6-sub 0.467
CYP3a4-inh 0.051
CYP3a4-sub 0.305
Excretion
CL 3.724
T12 0.601
Toxicity
hERG 0.005
Ames 0.22
ROA 0.214
SkinSen 0.488
Carcinogencity 0.216
EI 0.103
Respiratory 0.059
NR-Aromatase 0.54
Antiviral Prediction
Antiviral Yes
Prediction 0.763649
OSADHI

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