Chemoinformaics analysis of Farnisin
Molecular Weight | 284.267 | nRot | 2 |
Heavy Atom Molecular Weight | 272.171 | nRig | 18 |
Exact Molecular Weight | 284.068 | nRing | 3 |
Solubility: LogS | -3.753 | nHRing | 1 |
Solubility: LogP | 3.217 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | 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 | 38.7315 |
nHD | 2 | BPOL | 16.3785 |
QED | 0.756 |
Synth | 2.15 |
Natural Product Likeliness | 0.992 |
NR-PPAR-gamma | 0.253 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.987 |
HIA | 0.009 |
CACO-2 | -4.76 |
MDCK | 0.000014 |
BBB | 0.013 |
PPB | 0.967952 |
VDSS | 0.503 |
FU | 0.0546042 |
CYP1A2-inh | 0.974 |
CYP1A2-sub | 0.908 |
CYP2c19-inh | 0.806 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.522 |
CYP2c9-sub | 0.93 |
CYP2d6-inh | 0.732 |
CYP2d6-sub | 0.922 |
CYP3a4-inh | 0.883 |
CYP3a4-sub | 0.262 |
CL | 6.807 |
T12 | 0.745 |
hERG | 0.053 |
Ames | 0.287 |
ROA | 0.077 |
SkinSen | 0.887 |
Carcinogencity | 0.381 |
EI | 0.933 |
Respiratory | 0.4 |
NR-Aromatase | 0.895 |
Antiviral | Yes |
Prediction | 0.804539 |