Chemoinformaics analysis of Filiformine
Molecular Weight | 351.314 | nRot | 2 |
Heavy Atom Molecular Weight | 338.21 | nRig | 25 |
Exact Molecular Weight | 351.074 | nRing | 5 |
Solubility: LogS | -4.843 | nHRing | 2 |
Solubility: LogP | 3.427 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 46.3103 |
nHD | 1 | BPOL | 21.9937 |
QED | 0.754 |
Synth | 3.447 |
Natural Product Likeliness | 1.295 |
NR-PPAR-gamma | 0.144 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.986 |
Pgp-sub | 0 |
HIA | 0.005 |
CACO-2 | -4.971 |
MDCK | 0.0000169 |
BBB | 0.01 |
PPB | 0.936161 |
VDSS | 0.505 |
FU | 0.103363 |
CYP1A2-inh | 0.939 |
CYP1A2-sub | 0.641 |
CYP2c19-inh | 0.718 |
CYP2c19-sub | 0.757 |
CYP2c9-inh | 0.443 |
CYP2c9-sub | 0.867 |
CYP2d6-inh | 0.763 |
CYP2d6-sub | 0.354 |
CYP3a4-inh | 0.567 |
CYP3a4-sub | 0.099 |
CL | 3.021 |
T12 | 0.276 |
hERG | 0.006 |
Ames | 0.626 |
ROA | 0.732 |
SkinSen | 0.679 |
Carcinogencity | 0.765 |
EI | 0.398 |
Respiratory | 0.913 |
NR-Aromatase | 0.601 |
Antiviral | Yes |
Prediction | 0.657033 |