Chemoinformaics analysis of Dulcitol
Molecular Weight | 182.172 | nRot | 5 |
Heavy Atom Molecular Weight | 168.06 | nRig | 0 |
Exact Molecular Weight | 182.079 | nRing | 0 |
Solubility: LogS | -0.01 | nHRing | 0 |
Solubility: LogP | -2.608 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 24.1671 |
nHD | 6 | BPOL | 14.0449 |
QED | 0.261 |
Synth | 3.558 |
Natural Product Likeliness | 1.143 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.099 |
HIA | 0.925 |
CACO-2 | -5.286 |
MDCK | 0.00345921 |
BBB | 0.51 |
PPB | 0.117194 |
VDSS | 0.486 |
FU | 0.746815 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.026 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.087 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.106 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.006 |
CL | 1.509 |
T12 | 0.679 |
hERG | 0.095 |
Ames | 0.05 |
ROA | 0.007 |
SkinSen | 0.025 |
Carcinogencity | 0.007 |
EI | 0.031 |
Respiratory | 0.013 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.860399 |