Chemoinformaics analysis of RIBALINIUM
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 |
QED | 0.822 |
Synth | 3.752 |
Natural Product Likeliness | 2.454 |
NR-PPAR-gamma | 0.108 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.921 |
HIA | 0.278 |
CACO-2 | -4.908 |
MDCK | 0.0000204 |
BBB | 0.929 |
PPB | 0.855245 |
VDSS | 0.987 |
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 |
CL | 8.715 |
T12 | 0.832 |
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 | Yes |
Prediction | 0.773722 |