Chemoinformaics analysis of 2-HYDROXY-7-METHOXY-2H-1,4-BENZOXAZIN-3(4H)-ONE
Molecular Weight | 195.174 | nRot | 1 |
Heavy Atom Molecular Weight | 186.102 | nRig | 12 |
Exact Molecular Weight | 195.053 | nRing | 2 |
Solubility: LogS | -2.111 | nHRing | 1 |
Solubility: LogP | 0.999 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 25.3391 |
nHD | 2 | BPOL | 13.9389 |
QED | 0.499 |
Synth | 3.084 |
Natural Product Likeliness | 0.783 |
NR-PPAR-gamma | 0.012 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.253 |
HIA | 0.011 |
CACO-2 | -4.653 |
MDCK | 0.000014 |
BBB | 0.799 |
PPB | 0.627842 |
VDSS | 0.679 |
FU | 0.4229 |
CYP1A2-inh | 0.473 |
CYP1A2-sub | 0.32 |
CYP2c19-inh | 0.116 |
CYP2c19-sub | 0.368 |
CYP2c9-inh | 0.058 |
CYP2c9-sub | 0.479 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.829 |
CYP3a4-inh | 0.064 |
CYP3a4-sub | 0.132 |
CL | 7.031 |
T12 | 0.74 |
hERG | 0.01 |
Ames | 0.519 |
ROA | 0.334 |
SkinSen | 0.749 |
Carcinogencity | 0.02 |
EI | 0.614 |
Respiratory | 0.539 |
NR-Aromatase | 0.026 |
Antiviral | No |
Prediction | 0.8836 |