Chemoinformaics analysis of Leu-Leu
Molecular Weight | 244.335 | nRot | 7 |
Heavy Atom Molecular Weight | 220.143 | nRig | 2 |
Exact Molecular Weight | 244.179 | nRing | 0 |
Solubility: LogS | -1.453 | nHRing | 0 |
Solubility: LogP | 1.24 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 40.649 |
nHD | 3 | BPOL | 25.813 |
QED | 0.622 |
Synth | 2.683 |
Natural Product Likeliness | 0.379 |
NR-PPAR-gamma | 0.084 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.01 |
HIA | 0.014 |
CACO-2 | -5.724 |
MDCK | 0.00174284 |
BBB | 0.661 |
PPB | 0.122718 |
VDSS | 0.423 |
FU | 0.731654 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.046 |
CYP2c19-inh | 0.074 |
CYP2c19-sub | 0.094 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.882 |
CYP2d6-inh | 0.049 |
CYP2d6-sub | 0.161 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0.092 |
CL | 6.322 |
T12 | 0.848 |
hERG | 0.013 |
Ames | 0.012 |
ROA | 0.238 |
SkinSen | 0.129 |
Carcinogencity | 0.057 |
EI | 0.047 |
Respiratory | 0.231 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.727281 |