Chemoinformaics analysis of Majdine
Molecular Weight | 428.485 | nRot | 3 |
Heavy Atom Molecular Weight | 400.261 | nRig | 27 |
Exact Molecular Weight | 428.195 | nRing | 5 |
Solubility: LogS | -3.235 | nHRing | 4 |
Solubility: LogP | 1.893 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 1 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 23 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 64.0922 |
nHD | 1 | BPOL | 39.0498 |
QED | 0.738 |
Synth | 4.881 |
Natural Product Likeliness | 1.852 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.978 |
Pgp-sub | 0.001 |
HIA | 0.006 |
CACO-2 | -4.731 |
MDCK | 0.0000186 |
BBB | 0.995 |
PPB | 0.750461 |
VDSS | 1.333 |
FU | 0.25108 |
CYP1A2-inh | 0.034 |
CYP1A2-sub | 0.823 |
CYP2c19-inh | 0.14 |
CYP2c19-sub | 0.95 |
CYP2c9-inh | 0.193 |
CYP2c9-sub | 0.303 |
CYP2d6-inh | 0.811 |
CYP2d6-sub | 0.815 |
CYP3a4-inh | 0.877 |
CYP3a4-sub | 0.931 |
CL | 8.77 |
T12 | 0.344 |
hERG | 0.646 |
Ames | 0.034 |
ROA | 0.874 |
SkinSen | 0.037 |
Carcinogencity | 0.963 |
EI | 0.006 |
Respiratory | 0.943 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.833843 |