Chemoinformaics analysis of LANUGINOSINE
Molecular Weight | 305.289 | nRot | 1 |
Heavy Atom Molecular Weight | 294.201 | nRig | 25 |
Exact Molecular Weight | 305.069 | nRing | 5 |
Solubility: LogS | -6.67 | nHRing | 2 |
Solubility: LogP | 3.803 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 4 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 41.7027 |
nHD | 0 | BPOL | 18.2513 |
QED | 0.54 |
Synth | 2.6 |
Natural Product Likeliness | 1.071 |
NR-PPAR-gamma | 0.154 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.42 |
Pgp-sub | 0 |
HIA | 0.002 |
CACO-2 | -4.863 |
MDCK | 0.0000226 |
BBB | 0.214 |
PPB | 0.974209 |
VDSS | 0.688 |
FU | 0.0177991 |
CYP1A2-inh | 0.965 |
CYP1A2-sub | 0.42 |
CYP2c19-inh | 0.928 |
CYP2c19-sub | 0.123 |
CYP2c9-inh | 0.707 |
CYP2c9-sub | 0.914 |
CYP2d6-inh | 0.75 |
CYP2d6-sub | 0.896 |
CYP3a4-inh | 0.855 |
CYP3a4-sub | 0.155 |
CL | 11.353 |
T12 | 0.127 |
hERG | 0.074 |
Ames | 0.907 |
ROA | 0.041 |
SkinSen | 0.07 |
Carcinogencity | 0.955 |
EI | 0.364 |
Respiratory | 0.882 |
NR-Aromatase | 0.683 |
Antiviral | Yes |
Prediction | 0.846375 |