Chemoinformaics analysis of Hydroxymethyl
Molecular Weight | 31.034 | nRot | 0 |
Heavy Atom Molecular Weight | 28.01 | nRig | 0 |
Exact Molecular Weight | 31.0184 | nRing | 0 |
Solubility: LogS | 1.037 | nHRing | 0 |
Solubility: LogP | -0.732 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 5 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 2 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 3 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 4.47238 |
nHD | 1 | BPOL | 3.00962 |
QED | 0.402 |
Synth | 4.29 |
Natural Product Likeliness | 0.895 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.038 |
HIA | 0.008 |
CACO-2 | -4.745 |
MDCK | 0.00473384 |
BBB | 0.927 |
PPB | 0.0676229 |
VDSS | 0.83 |
FU | 0.874101 |
CYP1A2-inh | 0.148 |
CYP1A2-sub | 0.562 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.604 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.175 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.345 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.167 |
CL | 6.044 |
T12 | 0.761 |
hERG | 0.021 |
Ames | 0.066 |
ROA | 0.024 |
SkinSen | 0.303 |
Carcinogencity | 0.619 |
EI | 0.995 |
Respiratory | 0.05 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.915667 |