Chemoinformaics analysis of Peiminine
Molecular Weight | 429.645 | nRot | 0 |
Heavy Atom Molecular Weight | 386.301 | nRig | 31 |
Exact Molecular Weight | 429.324 | nRing | 6 |
Solubility: LogS | -4.144 | nHRing | 2 |
Solubility: LogP | 4.423 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 74 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 43 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 27 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 77.2681 |
nHD | 2 | BPOL | 45.7159 |
QED | 0.613 |
Synth | 5.011 |
Natural Product Likeliness | 2.84 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.647 |
Pgp-sub | 0.997 |
HIA | 0.023 |
CACO-2 | -4.733 |
MDCK | 0.0000197 |
BBB | 0.842 |
PPB | 0.668446 |
VDSS | 3.67 |
FU | 0.13201 |
CYP1A2-inh | 0.048 |
CYP1A2-sub | 0.286 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.891 |
CYP2c9-inh | 0.104 |
CYP2c9-sub | 0.052 |
CYP2d6-inh | 0.074 |
CYP2d6-sub | 0.852 |
CYP3a4-inh | 0.484 |
CYP3a4-sub | 0.517 |
CL | 18.458 |
T12 | 0.152 |
hERG | 0.184 |
Ames | 0.009 |
ROA | 0.361 |
SkinSen | 0.946 |
Carcinogencity | 0.625 |
EI | 0.077 |
Respiratory | 0.968 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.667315 |