Chemoinformaics analysis of n-Tetracosanol-1
Molecular Weight | 354.663 | nRot | 22 |
Heavy Atom Molecular Weight | 304.263 | nRig | 0 |
Exact Molecular Weight | 354.386 | nRing | 0 |
Solubility: LogS | -7.2 | nHRing | 0 |
Solubility: LogP | 10.31 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 75 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 24 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 74.2216 |
nHD | 1 | BPOL | 50.1604 |
QED | 0.193 |
Synth | 1.478 |
Natural Product Likeliness | 0.3 |
NR-PPAR-gamma | 0.255 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -5.166 |
MDCK | 0.00000584 |
BBB | 0.01 |
PPB | 0.976886 |
VDSS | 3.94 |
FU | 0.0120427 |
CYP1A2-inh | 0.076 |
CYP1A2-sub | 0.151 |
CYP2c19-inh | 0.15 |
CYP2c19-sub | 0.047 |
CYP2c9-inh | 0.039 |
CYP2c9-sub | 0.964 |
CYP2d6-inh | 0.12 |
CYP2d6-sub | 0.021 |
CYP3a4-inh | 0.152 |
CYP3a4-sub | 0.018 |
CL | 5.003 |
T12 | 0.035 |
hERG | 0.409 |
Ames | 0.007 |
ROA | 0.01 |
SkinSen | 0.973 |
Carcinogencity | 0.024 |
EI | 0.917 |
Respiratory | 0.43 |
NR-Aromatase | 0.157 |
Antiviral | No |
Prediction | 0.632914 |