Chemoinformaics analysis of Teucroxide
Molecular Weight | 378.421 | nRot | 2 |
Heavy Atom Molecular Weight | 352.213 | nRig | 25 |
Exact Molecular Weight | 378.168 | nRing | 5 |
Solubility: LogS | -3.297 | nHRing | 3 |
Solubility: LogP | 0.733 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 20 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 7 | No. of Arom Bond | 5 |
nHA | 7 | APOL | 56.3506 |
nHD | 3 | BPOL | 32.1594 |
QED | 0.663 |
Synth | 6.052 |
Natural Product Likeliness | 3.247 |
NR-PPAR-gamma | 0.901 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0.996 |
HIA | 0.025 |
CACO-2 | -5.499 |
MDCK | 0.0000929 |
BBB | 0.813 |
PPB | 0.836509 |
VDSS | 1.134 |
FU | 0.280486 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.222 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.712 |
CYP2c9-inh | 0.069 |
CYP2c9-sub | 0.053 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.138 |
CYP3a4-inh | 0.614 |
CYP3a4-sub | 0.423 |
CL | 5.314 |
T12 | 0.759 |
hERG | 0.063 |
Ames | 0.045 |
ROA | 0.951 |
SkinSen | 0.202 |
Carcinogencity | 0.703 |
EI | 0.134 |
Respiratory | 0.964 |
NR-Aromatase | 0.654 |
Antiviral | No |
Prediction | 0.545882 |