Chemoinformaics analysis of SYZALTERIN
Molecular Weight | 298.294 | nRot | 1 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 298.084 | nRing | 3 |
Solubility: LogS | -3.491 | nHRing | 1 |
Solubility: LogP | 3.826 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 41.7351 |
nHD | 3 | BPOL | 16.6489 |
QED | 0.642 |
Synth | 2.479 |
Natural Product Likeliness | 1.438 |
NR-PPAR-gamma | 0.96 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.938 |
HIA | 0.011 |
CACO-2 | -4.928 |
MDCK | 0.0000116 |
BBB | 0.008 |
PPB | 0.985589 |
VDSS | 0.402 |
FU | 0.0318554 |
CYP1A2-inh | 0.921 |
CYP1A2-sub | 0.737 |
CYP2c19-inh | 0.369 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.609 |
CYP2c9-sub | 0.775 |
CYP2d6-inh | 0.477 |
CYP2d6-sub | 0.287 |
CYP3a4-inh | 0.225 |
CYP3a4-sub | 0.144 |
CL | 5.718 |
T12 | 0.773 |
hERG | 0.017 |
Ames | 0.515 |
ROA | 0.29 |
SkinSen | 0.918 |
Carcinogencity | 0.345 |
EI | 0.864 |
Respiratory | 0.147 |
NR-Aromatase | 0.949 |
Antiviral | Yes |
Prediction | 0.786653 |