Chemoinformaics analysis of PALLIDININE
Molecular Weight | 329.396 | nRot | 2 |
Heavy Atom Molecular Weight | 306.212 | nRig | 21 |
Exact Molecular Weight | 329.163 | nRing | 4 |
Solubility: LogS | -2.343 | nHRing | 1 |
Solubility: LogP | 1.21 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 47 | 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 | 23 | 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 | 51.3742 |
nHD | 1 | BPOL | 29.1238 |
QED | 0.899 |
Synth | 4.713 |
Natural Product Likeliness | 2.242 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.142 |
Pgp-sub | 0.004 |
HIA | 0.019 |
CACO-2 | -4.753 |
MDCK | 0.0000223 |
BBB | 0.997 |
PPB | 0.448034 |
VDSS | 1.883 |
FU | 0.606949 |
CYP1A2-inh | 0.038 |
CYP1A2-sub | 0.758 |
CYP2c19-inh | 0.068 |
CYP2c19-sub | 0.943 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.461 |
CYP2d6-inh | 0.709 |
CYP2d6-sub | 0.89 |
CYP3a4-inh | 0.042 |
CYP3a4-sub | 0.869 |
CL | 14.318 |
T12 | 0.728 |
hERG | 0.343 |
Ames | 0.011 |
ROA | 0.498 |
SkinSen | 0.789 |
Carcinogencity | 0.474 |
EI | 0.01 |
Respiratory | 0.925 |
NR-Aromatase | 0.053 |
Antiviral | No |
Prediction | 0.526663 |