Chemoinformaics analysis of RIDENTIN-B
Molecular Weight | 264.321 | nRot | 0 |
Heavy Atom Molecular Weight | 244.161 | nRig | 18 |
Exact Molecular Weight | 264.136 | nRing | 3 |
Solubility: LogS | -3.034 | nHRing | 1 |
Solubility: LogP | 0.695 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 41.5939 |
nHD | 2 | BPOL | 22.6681 |
QED | 0.392 |
Synth | 4.674 |
Natural Product Likeliness | 3.767 |
NR-PPAR-gamma | 0.615 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.573 |
CACO-2 | -4.975 |
MDCK | 0.0000474 |
BBB | 0.962 |
PPB | 0.433561 |
VDSS | 0.891 |
FU | 0.58861 |
CYP1A2-inh | 0.063 |
CYP1A2-sub | 0.172 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.279 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.092 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.249 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.245 |
CL | 7.049 |
T12 | 0.082 |
hERG | 0.012 |
Ames | 0.015 |
ROA | 0.901 |
SkinSen | 0.242 |
Carcinogencity | 0.374 |
EI | 0.041 |
Respiratory | 0.969 |
NR-Aromatase | 0.013 |
Antiviral | Yes |
Prediction | 0.726841 |