Chemoinformaics analysis of Ribitol
Molecular Weight | 152.146 | nRot | 4 |
Heavy Atom Molecular Weight | 140.05 | nRig | 0 |
Exact Molecular Weight | 152.068 | nRing | 0 |
Solubility: LogS | -0.029 | nHRing | 0 |
Solubility: LogP | -2.238 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 22 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 20.3615 |
nHD | 5 | BPOL | 12.0385 |
QED | 0.296 |
Synth | 3.423 |
Natural Product Likeliness | 1.323 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.004 |
Pgp-sub | 0.039 |
HIA | 0.53 |
CACO-2 | -5.249 |
MDCK | 0.0032577 |
BBB | 0.291 |
PPB | 0.106681 |
VDSS | 0.411 |
FU | 0.824576 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.035 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.068 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.091 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.117 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.017 |
CL | 1.757 |
T12 | 0.752 |
hERG | 0.086 |
Ames | 0.054 |
ROA | 0.005 |
SkinSen | 0.064 |
Carcinogencity | 0.014 |
EI | 0.682 |
Respiratory | 0.016 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.902523 |