Chemoinformaics analysis of PALLIDINE
Molecular Weight | 327.38 | nRot | 2 |
Heavy Atom Molecular Weight | 306.212 | nRig | 21 |
Exact Molecular Weight | 327.147 | nRing | 4 |
Solubility: LogS | -3.288 | nHRing | 1 |
Solubility: LogP | 1.448 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 50.0407 |
nHD | 1 | BPOL | 27.1173 |
QED | 0.903 |
Synth | 4.629 |
Natural Product Likeliness | 1.545 |
NR-PPAR-gamma | 0.639 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.891 |
Pgp-sub | 0.01 |
HIA | 0.03 |
CACO-2 | -5.095 |
MDCK | 0.0000271 |
BBB | 0.364 |
PPB | 0.86304 |
VDSS | 1.017 |
FU | 0.159353 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.793 |
CYP2c19-inh | 0.445 |
CYP2c19-sub | 0.892 |
CYP2c9-inh | 0.278 |
CYP2c9-sub | 0.607 |
CYP2d6-inh | 0.034 |
CYP2d6-sub | 0.6 |
CYP3a4-inh | 0.543 |
CYP3a4-sub | 0.92 |
CL | 13.834 |
T12 | 0.725 |
hERG | 0.061 |
Ames | 0.072 |
ROA | 0.27 |
SkinSen | 0.184 |
Carcinogencity | 0.586 |
EI | 0.013 |
Respiratory | 0.959 |
NR-Aromatase | 0.792 |
Antiviral | Yes |
Prediction | 0.689847 |