Chemoinformaics analysis of 2-NORTHALMINE
Molecular Weight | 594.708 | nRot | 3 |
Heavy Atom Molecular Weight | 556.404 | nRig | 42 |
Exact Molecular Weight | 594.273 | nRing | 8 |
Solubility: LogS | -3.688 | nHRing | 4 |
Solubility: LogP | 5.362 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 82 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 44 | No. of Aromatic Carbocycles | 4 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 10 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 38 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 36 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 24 |
No. of Oxygen atom | 6 | No. of Arom Bond | 24 |
nHA | 8 | APOL | 92.4701 |
nHD | 2 | BPOL | 49.0819 |
QED | 0.278 |
Synth | 6.088 |
Natural Product Likeliness | 2.067 |
NR-PPAR-gamma | 0.078 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.999 |
Pgp-sub | 0.044 |
HIA | 0.005 |
CACO-2 | -5.763 |
MDCK | 0.0000189 |
BBB | 0.109 |
PPB | 0.8871 |
VDSS | 0.726 |
FU | 0.0819702 |
CYP1A2-inh | 0.058 |
CYP1A2-sub | 0.958 |
CYP2c19-inh | 0.088 |
CYP2c19-sub | 0.952 |
CYP2c9-inh | 0.025 |
CYP2c9-sub | 0.481 |
CYP2d6-inh | 0.023 |
CYP2d6-sub | 0.957 |
CYP3a4-inh | 0.074 |
CYP3a4-sub | 0.951 |
CL | 6.493 |
T12 | 0.263 |
hERG | 0.975 |
Ames | 0.082 |
ROA | 0.216 |
SkinSen | 0.876 |
Carcinogencity | 0.03 |
EI | 0.004 |
Respiratory | 0.398 |
NR-Aromatase | 0.72 |
Antiviral | Yes |
Prediction | 0.839178 |