Chemoinformaics analysis of FORMALDEHYDE
Molecular Weight | 30.026 | nRot | 0 |
Heavy Atom Molecular Weight | 28.01 | nRig | 1 |
Exact Molecular Weight | 30.0106 | nRing | 0 |
Solubility: LogS | 0.876 | nHRing | 0 |
Solubility: LogP | 0.014 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 4 | 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 | 2 | 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 | 3.80559 |
nHD | 0 | BPOL | 2.87441 |
QED | 0.361 |
Synth | 4.044 |
Natural Product Likeliness | 0.41 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.084 |
HIA | 0.005 |
CACO-2 | -4.284 |
MDCK | 0.0000611 |
BBB | 0.304 |
PPB | 0.274741 |
VDSS | 0.99 |
FU | 0.816987 |
CYP1A2-inh | 0.108 |
CYP1A2-sub | 0.587 |
CYP2c19-inh | 0.037 |
CYP2c19-sub | 0.232 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.507 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.525 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.16 |
CL | 9.976 |
T12 | 0.744 |
hERG | 0.036 |
Ames | 0.474 |
ROA | 0.119 |
SkinSen | 0.945 |
Carcinogencity | 0.043 |
EI | 0.996 |
Respiratory | 0.931 |
NR-Aromatase | 0.008 |
Antiviral | No |
Prediction | 0.922667 |