Chemoinformaics analysis of LIPASE
Molecular Weight | 299.351 | nRot | 3 |
Heavy Atom Molecular Weight | 286.247 | nRig | 19 |
Exact Molecular Weight | 299.062 | nRing | 3 |
Solubility: LogS | -2.184 | nHRing | 0 |
Solubility: LogP | 2.538 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 3 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 17 |
nHA | 3 | APOL | 41.7943 |
nHD | 2 | BPOL | 20.2677 |
QED | 0.721 |
Synth | 1.889 |
Natural Product Likeliness | -0.754 |
NR-PPAR-gamma | 0.338 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.01 |
HIA | 0.129 |
CACO-2 | -5.141 |
MDCK | 0.0000114 |
BBB | 0.389 |
PPB | 0.975013 |
VDSS | 0.587 |
FU | 0.00930032 |
CYP1A2-inh | 0.888 |
CYP1A2-sub | 0.253 |
CYP2c19-inh | 0.184 |
CYP2c19-sub | 0.274 |
CYP2c9-inh | 0.595 |
CYP2c9-sub | 0.942 |
CYP2d6-inh | 0.05 |
CYP2d6-sub | 0.465 |
CYP3a4-inh | 0.061 |
CYP3a4-sub | 0.14 |
CL | 0.898 |
T12 | 0.247 |
hERG | 0.064 |
Ames | 0.463 |
ROA | 0.02 |
SkinSen | 0.937 |
Carcinogencity | 0.483 |
EI | 0.963 |
Respiratory | 0.966 |
NR-Aromatase | 0.036 |
Antiviral | Yes |
Prediction | 0.83427 |