Chemoinformaics analysis of Cerebroside
Molecular Weight | 714.038 | nRot | 32 |
Heavy Atom Molecular Weight | 638.438 | nRig | 9 |
Exact Molecular Weight | 713.544 | nRing | 1 |
Solubility: LogS | -2.473 | nHRing | 1 |
Solubility: LogP | 7.857 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 125 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 50 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 75 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 40 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 125.127 |
nHD | 7 | BPOL | 80.1505 |
QED | 0.032 |
Synth | 4.699 |
Natural Product Likeliness | 1.529 |
NR-PPAR-gamma | 0.817 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.036 |
HIA | 0.917 |
CACO-2 | -5.328 |
MDCK | 0.0000185 |
BBB | 0.017 |
PPB | 0.990175 |
VDSS | 0.704 |
FU | 0.0313713 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0.064 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.15 |
CYP2c9-sub | 0.992 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.034 |
CYP3a4-inh | 0.245 |
CYP3a4-sub | 0.012 |
CL | 1.347 |
T12 | 0.062 |
hERG | 0.113 |
Ames | 0.1 |
ROA | 0.011 |
SkinSen | 0.94 |
Carcinogencity | 0.017 |
EI | 0.007 |
Respiratory | 0.23 |
NR-Aromatase | 0.795 |
Antiviral | Yes |
Prediction | 0.741494 |