Chemoinformaics analysis of Cadaverine
Molecular Weight | 102.181 | nRot | 4 |
Heavy Atom Molecular Weight | 88.069 | nRig | 0 |
Exact Molecular Weight | 102.116 | nRing | 0 |
Solubility: LogS | 1.114 | nHRing | 0 |
Solubility: LogP | -0.311 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 19.8851 |
nHD | 2 | BPOL | 12.9049 |
QED | 0.494 |
Synth | 1.936 |
Natural Product Likeliness | 0.637 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.106 |
Pgp-sub | 0.012 |
HIA | 0.052 |
CACO-2 | -6.138 |
MDCK | 0.000199808 |
BBB | 0.348 |
PPB | 0.0674659 |
VDSS | 1.209 |
FU | 0.922398 |
CYP1A2-inh | 0.048 |
CYP1A2-sub | 0.111 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.259 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.167 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.899 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.212 |
CL | 6.206 |
T12 | 0.44 |
hERG | 0.052 |
Ames | 0.036 |
ROA | 0.784 |
SkinSen | 0.9 |
Carcinogencity | 0.099 |
EI | 0.099 |
Respiratory | 0.852 |
NR-Aromatase | 0.012 |
Antiviral | No |
Prediction | 0.944831 |