Chemoinformaics analysis of AMINO-ADIPIC-ACID
Molecular Weight | 785.937 | nRot | 28 |
Heavy Atom Molecular Weight | 722.433 | nRig | 9 |
Exact Molecular Weight | 785.453 | nRing | 0 |
Solubility: LogS | -2.949 | nHRing | 0 |
Solubility: LogP | -2.065 | No. of Aliphatic Rings | 0 |
Acid Count | 3 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 118 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 55 | No. of Aromatic Carbocycles | 0 |
nHetero | 19 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 63 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 36 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 7 | No. of Arom Atom | 0 |
No. of Oxygen atom | 12 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 119.452 |
nHD | 10 | BPOL | 73.864 |
QED | 0.051 |
Synth | 4.661 |
Natural Product Likeliness | 0.088 |
NR-PPAR-gamma | 0.125 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.946 |
HIA | 0.717 |
CACO-2 | -7.979 |
MDCK | 0.000110641 |
BBB | 0.001 |
PPB | 0.276566 |
VDSS | 0.68 |
FU | 0.536836 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.007 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.029 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.993 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.02 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.103 |
CL | 2.596 |
T12 | 0.8 |
hERG | 0.001 |
Ames | 0.003 |
ROA | 0.011 |
SkinSen | 0.064 |
Carcinogencity | 0.001 |
EI | 0.019 |
Respiratory | 0 |
NR-Aromatase | 0.001 |
Antiviral | Yes |
Prediction | 0.532292 |