Chemoinformaics analysis of Matrine-N-Oxide
Molecular Weight | 264.369 | nRot | 0 |
Heavy Atom Molecular Weight | 240.177 | nRig | 21 |
Exact Molecular Weight | 264.184 | nRing | 4 |
Solubility: LogS | -0.07 | nHRing | 4 |
Solubility: LogP | 0.604 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 15 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 44.857 |
nHD | 0 | BPOL | 28.663 |
QED | 0.495 |
Synth | 4.636 |
Natural Product Likeliness | 1.628 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.997 |
HIA | 0.984 |
CACO-2 | -5.518 |
MDCK | 0.0000192 |
BBB | 0.13 |
PPB | 0.0720073 |
VDSS | 1.046 |
FU | 0.840231 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.179 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.3 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.18 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.279 |
CYP3a4-inh | 0.034 |
CYP3a4-sub | 0.604 |
CL | 13.198 |
T12 | 0.912 |
hERG | 0.009 |
Ames | 0.036 |
ROA | 0.623 |
SkinSen | 0.147 |
Carcinogencity | 0.758 |
EI | 0.021 |
Respiratory | 0.213 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.727534 |