Chemoinformaics analysis of PERYLENE
Molecular Weight | 252.316 | nRot | 0 |
Heavy Atom Molecular Weight | 240.22 | nRig | 24 |
Exact Molecular Weight | 252.094 | nRing | 5 |
Solubility: LogS | -8.121 | nHRing | 0 |
Solubility: LogP | 6.167 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 5 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 5 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 20 |
No. of Oxygen atom | 0 | No. of Arom Bond | 24 |
nHA | 0 | APOL | 41.4015 |
nHD | 0 | BPOL | 12.0385 |
QED | 0.243 |
Synth | 1.486 |
Natural Product Likeliness | 0.042 |
NR-PPAR-gamma | 0.981 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.055 |
Pgp-sub | 0.755 |
HIA | 0.121 |
CACO-2 | -4.854 |
MDCK | 0.000016 |
BBB | 0.673 |
PPB | 0.951773 |
VDSS | 1.525 |
FU | 0.00475498 |
CYP1A2-inh | 0.993 |
CYP1A2-sub | 0.199 |
CYP2c19-inh | 0.761 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.487 |
CYP2c9-sub | 0.925 |
CYP2d6-inh | 0.578 |
CYP2d6-sub | 0.926 |
CYP3a4-inh | 0.354 |
CYP3a4-sub | 0.098 |
CL | 5.126 |
T12 | 0.094 |
hERG | 0.134 |
Ames | 0.837 |
ROA | 0.092 |
SkinSen | 0.972 |
Carcinogencity | 0.914 |
EI | 0.995 |
Respiratory | 0.896 |
NR-Aromatase | 0.104 |
Antiviral | No |
Prediction | 0.569267 |