Chemoinformaics analysis of Foetisulfide C
Molecular Weight | 240.415 | nRot | 7 |
Heavy Atom Molecular Weight | 224.287 | nRig | 2 |
Exact Molecular Weight | 240.031 | nRing | 0 |
Solubility: LogS | -3.122 | nHRing | 0 |
Solubility: LogP | 2.158 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 34.3327 |
nHD | 0 | BPOL | 24.8053 |
QED | 0.388 |
Synth | 5.107 |
Natural Product Likeliness | 1.888 |
NR-PPAR-gamma | 0.02 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.058 |
HIA | 0.004 |
CACO-2 | -4.365 |
MDCK | 0.0000188 |
BBB | 0.707 |
PPB | 0.646844 |
VDSS | 0.779 |
FU | 0.270636 |
CYP1A2-inh | 0.87 |
CYP1A2-sub | 0.917 |
CYP2c19-inh | 0.495 |
CYP2c19-sub | 0.892 |
CYP2c9-inh | 0.156 |
CYP2c9-sub | 0.765 |
CYP2d6-inh | 0.211 |
CYP2d6-sub | 0.673 |
CYP3a4-inh | 0.147 |
CYP3a4-sub | 0.74 |
CL | 10.365 |
T12 | 0.735 |
hERG | 0.004 |
Ames | 0.901 |
ROA | 0.082 |
SkinSen | 0.932 |
Carcinogencity | 0.972 |
EI | 0.797 |
Respiratory | 0.677 |
NR-Aromatase | 0.008 |
Antiviral | No |
Prediction | 0.924742 |