Chemoinformaics analysis of Salvifaricin
Molecular Weight | 340.375 | nRot | 1 |
Heavy Atom Molecular Weight | 320.215 | nRig | 28 |
Exact Molecular Weight | 340.131 | nRing | 6 |
Solubility: LogS | -4.509 | nHRing | 4 |
Solubility: LogP | 3.195 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 20 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 5 | No. of Arom Bond | 5 |
nHA | 5 | APOL | 50.7459 |
nHD | 0 | BPOL | 27.8761 |
QED | 0.735 |
Synth | 6.745 |
Natural Product Likeliness | 3.539 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.111 |
Pgp-sub | 0.038 |
HIA | 0.005 |
CACO-2 | -5.249 |
MDCK | 0.0000201 |
BBB | 0.087 |
PPB | 0.935382 |
VDSS | 3.11 |
FU | 0.0515913 |
CYP1A2-inh | 0.057 |
CYP1A2-sub | 0.846 |
CYP2c19-inh | 0.43 |
CYP2c19-sub | 0.774 |
CYP2c9-inh | 0.347 |
CYP2c9-sub | 0.035 |
CYP2d6-inh | 0.221 |
CYP2d6-sub | 0.247 |
CYP3a4-inh | 0.902 |
CYP3a4-sub | 0.545 |
CL | 14.984 |
T12 | 0.069 |
hERG | 0.212 |
Ames | 0.93 |
ROA | 0.984 |
SkinSen | 0.147 |
Carcinogencity | 0.888 |
EI | 0.071 |
Respiratory | 0.983 |
NR-Aromatase | 0.387 |
Antiviral | No |
Prediction | 0.566817 |