Chemoinformaics analysis of Teucrin A
Molecular Weight | 344.363 | nRot | 1 |
Heavy Atom Molecular Weight | 324.203 | nRig | 25 |
Exact Molecular Weight | 344.126 | nRing | 5 |
Solubility: LogS | -3.709 | nHRing | 3 |
Solubility: LogP | 2.906 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 6 | No. of Arom Bond | 5 |
nHA | 6 | APOL | 49.8779 |
nHD | 1 | BPOL | 27.0081 |
QED | 0.771 |
Synth | 5.347 |
Natural Product Likeliness | 2.338 |
NR-PPAR-gamma | 0.924 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.55 |
HIA | 0.006 |
CACO-2 | -5.405 |
MDCK | 0.0000181 |
BBB | 0.482 |
PPB | 0.933205 |
VDSS | 3.627 |
FU | 0.0688616 |
CYP1A2-inh | 0.059 |
CYP1A2-sub | 0.624 |
CYP2c19-inh | 0.038 |
CYP2c19-sub | 0.345 |
CYP2c9-inh | 0.579 |
CYP2c9-sub | 0.458 |
CYP2d6-inh | 0.041 |
CYP2d6-sub | 0.331 |
CYP3a4-inh | 0.129 |
CYP3a4-sub | 0.275 |
CL | 14.581 |
T12 | 0.101 |
hERG | 0.004 |
Ames | 0.039 |
ROA | 0.989 |
SkinSen | 0.188 |
Carcinogencity | 0.93 |
EI | 0.016 |
Respiratory | 0.985 |
NR-Aromatase | 0.831 |
Antiviral | Yes |
Prediction | 0.559392 |