Chemoinformaics analysis of ALATOSIDE
Molecular Weight | 334.321 | nRot | 3 |
Heavy Atom Molecular Weight | 312.145 | nRig | 16 |
Exact Molecular Weight | 334.126 | nRing | 3 |
Solubility: LogS | -0.151 | nHRing | 2 |
Solubility: LogP | -2.362 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 45.2674 |
nHD | 6 | BPOL | 27.2786 |
QED | 0.318 |
Synth | 4.829 |
Natural Product Likeliness | 2.84 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.619 |
HIA | 0.945 |
CACO-2 | -5.699 |
MDCK | 0.000189466 |
BBB | 0.626 |
PPB | 0.134612 |
VDSS | 0.388 |
FU | 0.6439 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.035 |
CYP2c19-inh | 0.005 |
CYP2c19-sub | 0.222 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.138 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.111 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.033 |
CL | 1.549 |
T12 | 0.602 |
hERG | 0.035 |
Ames | 0.083 |
ROA | 0.167 |
SkinSen | 0.021 |
Carcinogencity | 0.958 |
EI | 0.007 |
Respiratory | 0.501 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.754818 |