Chemoinformaics analysis of GALEGINE-SULFATE
Molecular Weight | 225.27 | nRot | 2 |
Heavy Atom Molecular Weight | 210.15 | nRig | 2 |
Exact Molecular Weight | 225.078 | nRing | 0 |
Solubility: LogS | -1.173 | nHRing | 0 |
Solubility: LogP | 0.962 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 3 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 29.4299 |
nHD | 4 | BPOL | 21.7041 |
QED | 0.317 |
Synth | 3.058 |
Natural Product Likeliness | 1.976 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.983 |
HIA | 0.004 |
CACO-2 | -5.004 |
MDCK | 0.000327953 |
BBB | 0.574 |
PPB | 0.413824 |
VDSS | 1.53 |
FU | 0.720676 |
CYP1A2-inh | 0.229 |
CYP1A2-sub | 0.105 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.027 |
CYP2d6-inh | 0.658 |
CYP2d6-sub | 0.731 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.157 |
CL | 9.385 |
T12 | 0.243 |
hERG | 0.29 |
Ames | 0.01 |
ROA | 0.55 |
SkinSen | 0.587 |
Carcinogencity | 0.083 |
EI | 0.027 |
Respiratory | 0.28 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.865952 |