Chemoinformaics analysis of Formocortal
Molecular Weight | 569.066 | nRot | 7 |
Heavy Atom Molecular Weight | 530.762 | nRig | 27 |
Exact Molecular Weight | 568.224 | nRing | 5 |
Solubility: LogS | -5.15 | nHRing | 1 |
Solubility: LogP | 3.723 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 77 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 39 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 38 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 29 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 82.9211 |
nHD | 1 | BPOL | 49.2929 |
QED | 0.279 |
Synth | 5.332 |
Natural Product Likeliness | 1.647 |
NR-PPAR-gamma | 0.737 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.796 |
Pgp-sub | 0.006 |
HIA | 0.244 |
CACO-2 | -5.17 |
MDCK | 0.0000232 |
BBB | 0.999 |
PPB | 0.77257 |
VDSS | 1.329 |
FU | 0.194473 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.241 |
CYP2c19-inh | 0.169 |
CYP2c19-sub | 0.906 |
CYP2c9-inh | 0.099 |
CYP2c9-sub | 0.064 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.121 |
CYP3a4-inh | 0.802 |
CYP3a4-sub | 0.916 |
CL | 9.681 |
T12 | 0.298 |
hERG | 0.012 |
Ames | 0.833 |
ROA | 0.551 |
SkinSen | 0.181 |
Carcinogencity | 0.937 |
EI | 0.008 |
Respiratory | 0.971 |
NR-Aromatase | 0.806 |
Antiviral | Yes |
Prediction | 0.800513 |