Chemoinformaics analysis of 24-HYDROXY-TETRACOSANOIC-ACID
Molecular Weight | 384.645 | nRot | 23 |
Heavy Atom Molecular Weight | 336.261 | nRig | 1 |
Exact Molecular Weight | 384.36 | nRing | 0 |
Solubility: LogS | -5.062 | nHRing | 0 |
Solubility: LogP | 8.666 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | 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 | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 48 | 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 | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 74.4921 |
nHD | 2 | BPOL | 49.0219 |
QED | 0.178 |
Synth | 1.705 |
Natural Product Likeliness | 0.362 |
NR-PPAR-gamma | 0.978 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.01 |
CACO-2 | -5.262 |
MDCK | 0.0000131 |
BBB | 0.009 |
PPB | 0.978249 |
VDSS | 0.934 |
FU | 0.0073633 |
CYP1A2-inh | 0.126 |
CYP1A2-sub | 0.145 |
CYP2c19-inh | 0.151 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.062 |
CYP2c9-sub | 0.994 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.022 |
CYP3a4-inh | 0.049 |
CYP3a4-sub | 0.007 |
CL | 3.14 |
T12 | 0.329 |
hERG | 0.137 |
Ames | 0.004 |
ROA | 0.009 |
SkinSen | 0.958 |
Carcinogencity | 0.037 |
EI | 0.924 |
Respiratory | 0.845 |
NR-Aromatase | 0.192 |
Antiviral | No |
Prediction | 0.561933 |