Chemoinformaics analysis of NORACRONYCINE
Molecular Weight | 307.349 | nRot | 0 |
Heavy Atom Molecular Weight | 290.213 | nRig | 22 |
Exact Molecular Weight | 307.121 | nRing | 4 |
Solubility: LogS | -4.142 | nHRing | 2 |
Solubility: LogP | 4.065 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | 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 | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 3 | No. of Arom Bond | 16 |
nHA | 4 | APOL | 46.5715 |
nHD | 1 | BPOL | 21.3685 |
QED | 0.646 |
Synth | 2.738 |
Natural Product Likeliness | 1.9 |
NR-PPAR-gamma | 0.955 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.002 |
HIA | 0.057 |
CACO-2 | -4.668 |
MDCK | 0.0000226 |
BBB | 0.249 |
PPB | 0.981568 |
VDSS | 0.486 |
FU | 0.0102558 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.79 |
CYP2c19-inh | 0.875 |
CYP2c19-sub | 0.355 |
CYP2c9-inh | 0.857 |
CYP2c9-sub | 0.935 |
CYP2d6-inh | 0.888 |
CYP2d6-sub | 0.756 |
CYP3a4-inh | 0.668 |
CYP3a4-sub | 0.223 |
CL | 2.308 |
T12 | 0.176 |
hERG | 0.047 |
Ames | 0.886 |
ROA | 0.842 |
SkinSen | 0.511 |
Carcinogencity | 0.952 |
EI | 0.903 |
Respiratory | 0.908 |
NR-Aromatase | 0.717 |
Antiviral | Yes |
Prediction | 0.755136 |