Chemoinformaics analysis of D-Arabinose
Molecular Weight | 230.109 | nRot | 6 |
Heavy Atom Molecular Weight | 219.021 | nRig | 3 |
Exact Molecular Weight | 230.019 | nRing | 0 |
Solubility: LogS | 0.002 | nHRing | 0 |
Solubility: LogP | -2.681 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | 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 | 8 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 25.7307 |
nHD | 5 | BPOL | 22.3473 |
QED | 0.368 |
Synth | 5.236 |
Natural Product Likeliness | 0.797 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.039 |
HIA | 0.186 |
CACO-2 | -5.813 |
MDCK | 0.00368403 |
BBB | 0.565 |
PPB | 0.0843832 |
VDSS | 0.335 |
FU | 0.849696 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.034 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.041 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.216 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.113 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.007 |
CL | 1.324 |
T12 | 0.917 |
hERG | 0.022 |
Ames | 0.042 |
ROA | 0.005 |
SkinSen | 0.238 |
Carcinogencity | 0.026 |
EI | 0.164 |
Respiratory | 0.187 |
NR-Aromatase | 0.001 |
Antiviral | No |
Prediction | 0.867488 |