Chemoinformaics analysis of LAURIFOLINE
Molecular Weight | 342.415 | nRot | 2 |
Heavy Atom Molecular Weight | 318.223 | nRig | 20 |
Exact Molecular Weight | 342.17 | nRing | 4 |
Solubility: LogS | -0.14 | nHRing | 1 |
Solubility: LogP | 0.175 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 53.711 |
nHD | 2 | BPOL | 29.829 |
QED | 0.824 |
Synth | 3.522 |
Natural Product Likeliness | 2.16 |
NR-PPAR-gamma | 0.022 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.987 |
HIA | 0.967 |
CACO-2 | -5.78 |
MDCK | 0.00000386 |
BBB | 0.108 |
PPB | 0.361042 |
VDSS | 2.092 |
FU | 0.440606 |
CYP1A2-inh | 0.108 |
CYP1A2-sub | 0.958 |
CYP2c19-inh | 0.015 |
CYP2c19-sub | 0.095 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.39 |
CYP2d6-inh | 0.017 |
CYP2d6-sub | 0.93 |
CYP3a4-inh | 0.031 |
CYP3a4-sub | 0.517 |
CL | 3.6 |
T12 | 0.912 |
hERG | 0.094 |
Ames | 0.107 |
ROA | 0.133 |
SkinSen | 0.155 |
Carcinogencity | 0.013 |
EI | 0.012 |
Respiratory | 0.457 |
NR-Aromatase | 0.014 |
Antiviral | Yes |
Prediction | 0.675335 |