Chemoinformaics analysis of Noscapine
Molecular Weight | 413.426 | nRot | 4 |
Heavy Atom Molecular Weight | 390.242 | nRig | 26 |
Exact Molecular Weight | 413.147 | nRing | 5 |
Solubility: LogS | -3.902 | nHRing | 3 |
Solubility: LogP | 1.894 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 58.7902 |
nHD | 0 | BPOL | 36.0678 |
QED | 0.709 |
Synth | 3.553 |
Natural Product Likeliness | 1.336 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.934 |
Pgp-sub | 0.002 |
HIA | 0.003 |
CACO-2 | -4.796 |
MDCK | 0.0000383 |
BBB | 0.991 |
PPB | 0.769101 |
VDSS | 1.644 |
FU | 0.142692 |
CYP1A2-inh | 0.264 |
CYP1A2-sub | 0.96 |
CYP2c19-inh | 0.879 |
CYP2c19-sub | 0.933 |
CYP2c9-inh | 0.593 |
CYP2c9-sub | 0.855 |
CYP2d6-inh | 0.817 |
CYP2d6-sub | 0.886 |
CYP3a4-inh | 0.95 |
CYP3a4-sub | 0.924 |
CL | 8.827 |
T12 | 0.18 |
hERG | 0.377 |
Ames | 0.147 |
ROA | 0.646 |
SkinSen | 0.054 |
Carcinogencity | 0.512 |
EI | 0.014 |
Respiratory | 0.871 |
NR-Aromatase | 0.037 |
Antiviral | Yes |
Prediction | 0.763008 |