Chemoinformaics analysis of OXYNITIDINE
Molecular Weight | 363.369 | nRot | 2 |
Heavy Atom Molecular Weight | 346.233 | nRig | 26 |
Exact Molecular Weight | 363.111 | nRing | 5 |
Solubility: LogS | -7.673 | nHRing | 2 |
Solubility: LogP | 4.159 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 3 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 18 |
No. of Oxygen atom | 5 | No. of Arom Bond | 21 |
nHA | 6 | APOL | 51.5155 |
nHD | 0 | BPOL | 26.5765 |
QED | 0.51 |
Synth | 2.404 |
Natural Product Likeliness | 0.455 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.035 |
Pgp-sub | 0.026 |
HIA | 0.002 |
CACO-2 | -4.951 |
MDCK | 0.0000865 |
BBB | 0.335 |
PPB | 0.824514 |
VDSS | 0.664 |
FU | 0.0219571 |
CYP1A2-inh | 0.774 |
CYP1A2-sub | 0.894 |
CYP2c19-inh | 0.915 |
CYP2c19-sub | 0.796 |
CYP2c9-inh | 0.64 |
CYP2c9-sub | 0.923 |
CYP2d6-inh | 0.356 |
CYP2d6-sub | 0.935 |
CYP3a4-inh | 0.912 |
CYP3a4-sub | 0.227 |
CL | 10.153 |
T12 | 0.154 |
hERG | 0.092 |
Ames | 0.922 |
ROA | 0.138 |
SkinSen | 0.811 |
Carcinogencity | 0.952 |
EI | 0.712 |
Respiratory | 0.795 |
NR-Aromatase | 0.507 |
Antiviral | Yes |
Prediction | 0.721157 |