Chemoinformaics analysis of Dzdcbmukbvglri-mubjhlhtsa-
Molecular Weight | 754.867 | nRot | 8 |
Heavy Atom Molecular Weight | 696.403 | nRig | 38 |
Exact Molecular Weight | 754.378 | nRing | 7 |
Solubility: LogS | -3.332 | nHRing | 3 |
Solubility: LogP | 2.419 | No. of Aliphatic Rings | 7 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 111 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 53 | No. of Aromatic Carbocycles | 0 |
nHetero | 15 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 58 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 38 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 15 | No. of Arom Bond | 0 |
nHA | 15 | APOL | 114.164 |
nHD | 6 | BPOL | 72.074 |
QED | 0.147 |
Synth | 5.882 |
Natural Product Likeliness | 2.471 |
NR-PPAR-gamma | 0.669 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.013 |
Pgp-sub | 0.999 |
HIA | 0.962 |
CACO-2 | -6.411 |
MDCK | 0.000132593 |
BBB | 0.077 |
PPB | 0.841711 |
VDSS | 0.364 |
FU | 0.113299 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.115 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.194 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.013 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.089 |
CYP3a4-inh | 0.082 |
CYP3a4-sub | 0.198 |
CL | 0.982 |
T12 | 0.671 |
hERG | 0.529 |
Ames | 0.068 |
ROA | 0.771 |
SkinSen | 0.611 |
Carcinogencity | 0.085 |
EI | 0.008 |
Respiratory | 0.966 |
NR-Aromatase | 0.829 |
Antiviral | Yes |
Prediction | 0.869586 |