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

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Chemoinformaics analysis of RIBALINIUM


Physiochemical Properties
Molecular Weight 290.339 nRot 2
Heavy Atom Molecular Weight 270.179 nRig 15
Exact Molecular Weight 290.139 nRing 3
Solubility: LogS -2.722 nHRing 2
Solubility: LogP 2.098 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 4 APOL 44.3639
nHD 2 BPOL 25.2461
Medicinal Chemistry Properties
QED 0.822
Synth 3.752
Natural Product Likeliness 2.454
NR-PPAR-gamma 0.108
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.921
HIA 0.278
CACO-2 -4.908
Distribution
MDCK 0.0000204
BBB 0.929
PPB 0.855245
VDSS 0.987
Metabolism
FU 0.135145
CYP1A2-inh 0.363
CYP1A2-sub 0.54
CYP2c19-inh 0.015
CYP2c19-sub 0.766
CYP2c9-inh 0.004
CYP2c9-sub 0.674
CYP2d6-inh 0.253
CYP2d6-sub 0.65
CYP3a4-inh 0.012
CYP3a4-sub 0.348
Excretion
CL 8.715
T12 0.832
Toxicity
hERG 0.009
Ames 0.012
ROA 0.307
SkinSen 0.115
Carcinogencity 0.423
EI 0.125
Respiratory 0.142
NR-Aromatase 0.508
Antiviral Prediction
Antiviral Yes
Prediction 0.773722
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A database of all the medicinal plants having PAN India presence.
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