Chemoinformaics analysis of Furosin
Molecular Weight | 650.454 | nRot | 3 |
Heavy Atom Molecular Weight | 628.278 | nRig | 37 |
Exact Molecular Weight | 650.076 | nRing | 6 |
Solubility: LogS | -2.02 | nHRing | 3 |
Solubility: LogP | 0.765 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 68 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 2 |
nHetero | 19 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 27 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 19 | No. of Arom Bond | 12 |
nHA | 19 | APOL | 74.9974 |
nHD | 10 | BPOL | 34.2226 |
QED | 0.069 |
Synth | 6.377 |
Natural Product Likeliness | 1.881 |
NR-PPAR-gamma | 0.01 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.111 |
Pgp-sub | 0.854 |
HIA | 0.962 |
CACO-2 | -6.848 |
MDCK | 0.0000418 |
BBB | 0.06 |
PPB | 0.835247 |
VDSS | 0.538 |
FU | 0.165149 |
CYP1A2-inh | 0.056 |
CYP1A2-sub | 0.021 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.043 |
CYP2c9-inh | 0.037 |
CYP2c9-sub | 0.027 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.078 |
CYP3a4-inh | 0.038 |
CYP3a4-sub | 0.057 |
CL | 2.173 |
T12 | 0.866 |
hERG | 0.053 |
Ames | 0.331 |
ROA | 0.002 |
SkinSen | 0.388 |
Carcinogencity | 0.021 |
EI | 0.02 |
Respiratory | 0.034 |
NR-Aromatase | 0.416 |
Antiviral | Yes |
Prediction | 0.626233 |