Chemoinformaics analysis of NOROXOAGAROFURAN
Molecular Weight | 222.328 | nRot | 0 |
Heavy Atom Molecular Weight | 200.152 | nRig | 15 |
Exact Molecular Weight | 222.162 | nRing | 3 |
Solubility: LogS | -3.523 | nHRing | 1 |
Solubility: LogP | 3.247 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 39.6534 |
nHD | 0 | BPOL | 24.6746 |
QED | 0.629 |
Synth | 5.335 |
Natural Product Likeliness | 3.02 |
NR-PPAR-gamma | 0.186 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.091 |
Pgp-sub | 0 |
HIA | 0.004 |
CACO-2 | -4.664 |
MDCK | 0.0000197 |
BBB | 0.901 |
PPB | 0.881295 |
VDSS | 1.397 |
FU | 0.0905643 |
CYP1A2-inh | 0.036 |
CYP1A2-sub | 0.9 |
CYP2c19-inh | 0.196 |
CYP2c19-sub | 0.941 |
CYP2c9-inh | 0.242 |
CYP2c9-sub | 0.339 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.528 |
CYP3a4-inh | 0.201 |
CYP3a4-sub | 0.886 |
CL | 10.164 |
T12 | 0.658 |
hERG | 0.012 |
Ames | 0.059 |
ROA | 0.222 |
SkinSen | 0.046 |
Carcinogencity | 0.785 |
EI | 0.414 |
Respiratory | 0.751 |
NR-Aromatase | 0.798 |
Antiviral | Yes |
Prediction | 0.906345 |