Chemoinformaics analysis of ANOLOBINE
Molecular Weight | 281.311 | nRot | 0 |
Heavy Atom Molecular Weight | 266.191 | nRig | 24 |
Exact Molecular Weight | 281.105 | nRing | 5 |
Solubility: LogS | -2.423 | nHRing | 2 |
Solubility: LogP | 2.239 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 41.8979 |
nHD | 2 | BPOL | 19.0901 |
QED | 0.779 |
Synth | 3.268 |
Natural Product Likeliness | 2.133 |
NR-PPAR-gamma | 0.027 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.075 |
HIA | 0.003 |
CACO-2 | -4.953 |
MDCK | 0.0000178 |
BBB | 0.886 |
PPB | 0.682679 |
VDSS | 2.167 |
FU | 0.164489 |
CYP1A2-inh | 0.923 |
CYP1A2-sub | 0.255 |
CYP2c19-inh | 0.379 |
CYP2c19-sub | 0.274 |
CYP2c9-inh | 0.018 |
CYP2c9-sub | 0.597 |
CYP2d6-inh | 0.94 |
CYP2d6-sub | 0.918 |
CYP3a4-inh | 0.439 |
CYP3a4-sub | 0.537 |
CL | 15.436 |
T12 | 0.301 |
hERG | 0.734 |
Ames | 0.812 |
ROA | 0.665 |
SkinSen | 0.642 |
Carcinogencity | 0.351 |
EI | 0.009 |
Respiratory | 0.777 |
NR-Aromatase | 0.067 |
Antiviral | Yes |
Prediction | 0.802061 |