Chemoinformaics analysis of Majoridin
Molecular Weight | 380.488 | nRot | 2 |
Heavy Atom Molecular Weight | 352.264 | nRig | 26 |
Exact Molecular Weight | 380.21 | nRing | 7 |
Solubility: LogS | -3.597 | nHRing | 5 |
Solubility: LogP | 2.884 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 5 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 23 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 61.6862 |
nHD | 0 | BPOL | 35.8498 |
QED | 0.583 |
Synth | 6.374 |
Natural Product Likeliness | 2.31 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.998 |
Pgp-sub | 0.514 |
HIA | 0.536 |
CACO-2 | -4.699 |
MDCK | 0.0000337 |
BBB | 0.906 |
PPB | 0.75973 |
VDSS | 2.588 |
FU | 0.215912 |
CYP1A2-inh | 0.084 |
CYP1A2-sub | 0.186 |
CYP2c19-inh | 0.258 |
CYP2c19-sub | 0.948 |
CYP2c9-inh | 0.264 |
CYP2c9-sub | 0.576 |
CYP2d6-inh | 0.859 |
CYP2d6-sub | 0.906 |
CYP3a4-inh | 0.857 |
CYP3a4-sub | 0.843 |
CL | 13.488 |
T12 | 0.06 |
hERG | 0.003 |
Ames | 0.077 |
ROA | 0.962 |
SkinSen | 0.042 |
Carcinogencity | 0.585 |
EI | 0.01 |
Respiratory | 0.954 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.555804 |