Chemoinformaics analysis of GLABRANIN
Molecular Weight | 150.221 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 45 |
Exact Molecular Weight | 150.104 | nRing | 1 |
Solubility: LogS | -0.219 | nHRing | 0 |
Solubility: LogP | -2.786 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 26.8371 |
nHD | 0 | BPOL | 14.9129 |
QED | 0.049 |
Synth | 7.606 |
Natural Product Likeliness | 1.527 |
NR-PPAR-gamma | 0.244 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.029 |
Pgp-sub | 0.556 |
HIA | 1 |
CACO-2 | -6.668 |
MDCK | 0.00089104 |
BBB | 0.327 |
PPB | 0.239907 |
VDSS | -0.071 |
FU | 0.340155 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.079 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.066 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.021 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.052 |
CYP3a4-inh | 0.029 |
CYP3a4-sub | 0 |
CL | 0.332 |
T12 | 0.098 |
hERG | 0.003 |
Ames | 0.1 |
ROA | 0.274 |
SkinSen | 0 |
Carcinogencity | 0.021 |
EI | 0.001 |
Respiratory | 0.004 |
NR-Aromatase | 0.752 |
Antiviral | No |
Prediction | 0.930448 |