Chemoinformaics analysis of TETRATRIACONTANOIC-ACID
Molecular Weight | 508.916 | nRot | 32 |
Heavy Atom Molecular Weight | 440.372 | nRig | 1 |
Exact Molecular Weight | 508.522 | nRing | 0 |
Solubility: LogS | -7.469 | nHRing | 0 |
Solubility: LogP | 13.877 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 104 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 36 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 68 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 34 | 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 | 1 | APOL | 103.726 |
nHD | 1 | BPOL | 69.0861 |
QED | 0.092 |
Synth | 1.753 |
Natural Product Likeliness | 0.193 |
NR-PPAR-gamma | 0.857 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -5.325 |
MDCK | 0.00000186 |
BBB | 0.001 |
PPB | 1.02298 |
VDSS | 3.318 |
FU | 0.00344901 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.111 |
CYP2c19-inh | 0.093 |
CYP2c19-sub | 0.043 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.998 |
CYP2d6-inh | 0.024 |
CYP2d6-sub | 0.009 |
CYP3a4-inh | 0.064 |
CYP3a4-sub | 0.002 |
CL | 2.875 |
T12 | 0.038 |
hERG | 0.54 |
Ames | 0.005 |
ROA | 0.004 |
SkinSen | 0.978 |
Carcinogencity | 0.015 |
EI | 0.906 |
Respiratory | 0.517 |
NR-Aromatase | 0.075 |
Antiviral | No |
Prediction | 0.622537 |