Chemoinformaics analysis of ECHIOIDININ
Molecular Weight | 284.267 | nRot | 2 |
Heavy Atom Molecular Weight | 272.171 | nRig | 18 |
Exact Molecular Weight | 284.068 | nRing | 3 |
Solubility: LogS | -3.628 | nHRing | 1 |
Solubility: LogP | 3.837 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 38.7315 |
nHD | 2 | BPOL | 16.3785 |
QED | 0.756 |
Synth | 2.251 |
Natural Product Likeliness | 1.057 |
NR-PPAR-gamma | 0.964 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.731 |
HIA | 0.012 |
CACO-2 | -4.87 |
MDCK | 0.0000132 |
BBB | 0.015 |
PPB | 0.975623 |
VDSS | 0.505 |
FU | 0.0410438 |
CYP1A2-inh | 0.984 |
CYP1A2-sub | 0.867 |
CYP2c19-inh | 0.855 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.793 |
CYP2c9-sub | 0.929 |
CYP2d6-inh | 0.832 |
CYP2d6-sub | 0.898 |
CYP3a4-inh | 0.676 |
CYP3a4-sub | 0.155 |
CL | 4.684 |
T12 | 0.615 |
hERG | 0.07 |
Ames | 0.614 |
ROA | 0.049 |
SkinSen | 0.77 |
Carcinogencity | 0.175 |
EI | 0.944 |
Respiratory | 0.305 |
NR-Aromatase | 0.881 |
Antiviral | Yes |
Prediction | 0.826467 |