Chemoinformaics analysis of L-MIMOSINE
Molecular Weight | 198.178 | nRot | 3 |
Heavy Atom Molecular Weight | 188.098 | nRig | 8 |
Exact Molecular Weight | 198.064 | nRing | 1 |
Solubility: LogS | -1.395 | nHRing | 1 |
Solubility: LogP | -3.026 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 25.4359 |
nHD | 3 | BPOL | 12.9081 |
QED | 0.575 |
Synth | 3.207 |
Natural Product Likeliness | 0.732 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.149 |
HIA | 0.025 |
CACO-2 | -6.003 |
MDCK | 0.00273253 |
BBB | 0.471 |
PPB | 0.125584 |
VDSS | 0.5 |
FU | 0.867701 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.054 |
CYP2c19-inh | 0.088 |
CYP2c19-sub | 0.047 |
CYP2c9-inh | 0.024 |
CYP2c9-sub | 0.17 |
CYP2d6-inh | 0.04 |
CYP2d6-sub | 0.183 |
CYP3a4-inh | 0.022 |
CYP3a4-sub | 0.025 |
CL | 7.335 |
T12 | 0.719 |
hERG | 0.018 |
Ames | 0.343 |
ROA | 0.035 |
SkinSen | 0.159 |
Carcinogencity | 0.392 |
EI | 0.04 |
Respiratory | 0.092 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.916359 |