Chemoinformaics analysis of Mammeigin
Molecular Weight | 404.462 | nRot | 4 |
Heavy Atom Molecular Weight | 380.27 | nRig | 24 |
Exact Molecular Weight | 404.162 | nRing | 4 |
Solubility: LogS | -4.152 | nHRing | 2 |
Solubility: LogP | 5.988 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 25 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 61.763 |
nHD | 1 | BPOL | 29.285 |
QED | 0.454 |
Synth | 2.939 |
Natural Product Likeliness | 1.898 |
NR-PPAR-gamma | 0.869 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.998 |
Pgp-sub | 0 |
HIA | 0.021 |
CACO-2 | -4.685 |
MDCK | 0.0000172 |
BBB | 0.024 |
PPB | 1.00096 |
VDSS | 0.465 |
FU | 0.00955611 |
CYP1A2-inh | 0.408 |
CYP1A2-sub | 0.313 |
CYP2c19-inh | 0.914 |
CYP2c19-sub | 0.098 |
CYP2c9-inh | 0.913 |
CYP2c9-sub | 0.842 |
CYP2d6-inh | 0.269 |
CYP2d6-sub | 0.209 |
CYP3a4-inh | 0.337 |
CYP3a4-sub | 0.168 |
CL | 3.381 |
T12 | 0.124 |
hERG | 0.021 |
Ames | 0.388 |
ROA | 0.876 |
SkinSen | 0.411 |
Carcinogencity | 0.869 |
EI | 0.022 |
Respiratory | 0.576 |
NR-Aromatase | 0.79 |
Antiviral | Yes |
Prediction | 0.596265 |