Chemoinformaics analysis of Narcissiflorine
Molecular Weight | 764.95 | nRot | 7 |
Heavy Atom Molecular Weight | 700.438 | nRig | 39 |
Exact Molecular Weight | 764.435 | nRing | 7 |
Solubility: LogS | -3.864 | nHRing | 2 |
Solubility: LogP | 4.433 | No. of Aliphatic Rings | 7 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 118 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 54 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 64 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 41 | No. of Saturated Rings | 6 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 13 | No. of Arom Bond | 0 |
nHA | 11 | APOL | 121.571 |
nHD | 7 | BPOL | 72.8852 |
QED | 0.146 |
Synth | 5.676 |
Natural Product Likeliness | 2.725 |
NR-PPAR-gamma | 0.591 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.43 |
Pgp-sub | 0.004 |
HIA | 0.658 |
CACO-2 | -6.067 |
MDCK | 0.0000143 |
BBB | 0.052 |
PPB | 0.875153 |
VDSS | 0.454 |
FU | 0.108198 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.285 |
CYP2c19-inh | 0.003 |
CYP2c19-sub | 0.253 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.074 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.081 |
CYP3a4-inh | 0.043 |
CYP3a4-sub | 0.012 |
CL | 0.939 |
T12 | 0.608 |
hERG | 0.005 |
Ames | 0.077 |
ROA | 0.281 |
SkinSen | 0.05 |
Carcinogencity | 0.052 |
EI | 0.011 |
Respiratory | 0.968 |
NR-Aromatase | 0.775 |
Antiviral | Yes |
Prediction | 0.856718 |