Chemoinformaics analysis of D-RIBULOSE
Molecular Weight | 150.13 | nRot | 4 |
Heavy Atom Molecular Weight | 140.05 | nRig | 1 |
Exact Molecular Weight | 150.053 | nRing | 0 |
Solubility: LogS | -0.108 | nHRing | 0 |
Solubility: LogP | -2.039 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | 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 | 10 | 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 | 19.0279 |
nHD | 4 | BPOL | 10.9001 |
QED | 0.348 |
Synth | 3.657 |
Natural Product Likeliness | 1.107 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.009 |
Pgp-sub | 0.042 |
HIA | 0.062 |
CACO-2 | -5.229 |
MDCK | 0.00640485 |
BBB | 0.416 |
PPB | 0.106724 |
VDSS | 0.891 |
FU | 0.828112 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.046 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.071 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.107 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.028 |
CL | 1.263 |
T12 | 0.916 |
hERG | 0.067 |
Ames | 0.061 |
ROA | 0.028 |
SkinSen | 0.109 |
Carcinogencity | 0.008 |
EI | 0.147 |
Respiratory | 0.027 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.914298 |