Chemoinformaics analysis of GAMMA-GLUTAMYL-PEPTIDE
Molecular Weight | 771.85 | nRot | 25 |
Heavy Atom Molecular Weight | 730.522 | nRig | 10 |
Exact Molecular Weight | 771.187 | nRing | 0 |
Solubility: LogS | -1.42 | nHRing | 0 |
Solubility: LogP | -3.152 | No. of Aliphatic Rings | 0 |
Acid Count | 4 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 91 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 50 | No. of Aromatic Carbocycles | 0 |
nHetero | 24 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 41 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 26 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 7 | No. of Arom Atom | 0 |
No. of Oxygen atom | 14 | No. of Arom Bond | 0 |
nHA | 14 | APOL | 98.3865 |
nHD | 14 | BPOL | 60.0415 |
QED | 0.039 |
Synth | 4.287 |
Natural Product Likeliness | 0.262 |
NR-PPAR-gamma | 0.008 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.011 |
HIA | 0.969 |
CACO-2 | -8.296 |
MDCK | 0.0000451 |
BBB | 0.001 |
PPB | 0.190296 |
VDSS | 0.717 |
FU | 0.595611 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.009 |
CYP2c9-inh | 0.026 |
CYP2c9-sub | 0.585 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.039 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0 |
CL | 1.094 |
T12 | 0.91 |
hERG | 0.002 |
Ames | 0.62 |
ROA | 0.002 |
SkinSen | 0.199 |
Carcinogencity | 0.035 |
EI | 0.013 |
Respiratory | 0.201 |
NR-Aromatase | 0.001 |
Antiviral | Yes |
Prediction | 0.749373 |