Chemoinformaics analysis of Picrasidine Q
Molecular Weight | 266.256 | nRot | 1 |
Heavy Atom Molecular Weight | 256.176 | nRig | 20 |
Exact Molecular Weight | 266.069 | nRing | 4 |
Solubility: LogS | -3.945 | nHRing | 3 |
Solubility: LogP | 2.399 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 3 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 16 |
No. of Oxygen atom | 3 | No. of Arom Bond | 19 |
nHA | 5 | APOL | 36.3239 |
nHD | 1 | BPOL | 15.4861 |
QED | 0.573 |
Synth | 2.494 |
Natural Product Likeliness | 0.377 |
NR-PPAR-gamma | 0.952 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0 |
HIA | 0.008 |
CACO-2 | -4.873 |
MDCK | 0.0000231 |
BBB | 0.473 |
PPB | 0.961842 |
VDSS | 0.443 |
FU | 0.0320161 |
CYP1A2-inh | 0.973 |
CYP1A2-sub | 0.897 |
CYP2c19-inh | 0.519 |
CYP2c19-sub | 0.695 |
CYP2c9-inh | 0.63 |
CYP2c9-sub | 0.835 |
CYP2d6-inh | 0.101 |
CYP2d6-sub | 0.571 |
CYP3a4-inh | 0.293 |
CYP3a4-sub | 0.354 |
CL | 3.097 |
T12 | 0.649 |
hERG | 0.038 |
Ames | 0.927 |
ROA | 0.096 |
SkinSen | 0.133 |
Carcinogencity | 0.962 |
EI | 0.475 |
Respiratory | 0.86 |
NR-Aromatase | 0.52 |
Antiviral | Yes |
Prediction | 0.614755 |