Chemoinformaics analysis of Narcissidine
Molecular Weight | 333.384 | nRot | 3 |
Heavy Atom Molecular Weight | 310.2 | nRig | 19 |
Exact Molecular Weight | 333.158 | nRing | 4 |
Solubility: LogS | -1.423 | nHRing | 2 |
Solubility: LogP | 1.159 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 50.5062 |
nHD | 2 | BPOL | 29.9918 |
QED | 0.792 |
Synth | 4.242 |
Natural Product Likeliness | 1.965 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0.393 |
HIA | 0.607 |
CACO-2 | -5.056 |
MDCK | 0.0000885 |
BBB | 0.951 |
PPB | 0.730398 |
VDSS | 1.132 |
FU | 0.350187 |
CYP1A2-inh | 0.058 |
CYP1A2-sub | 0.836 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.882 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.424 |
CYP2d6-inh | 0.052 |
CYP2d6-sub | 0.781 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.507 |
CL | 9.93 |
T12 | 0.81 |
hERG | 0.032 |
Ames | 0.057 |
ROA | 0.929 |
SkinSen | 0.115 |
Carcinogencity | 0.095 |
EI | 0.019 |
Respiratory | 0.978 |
NR-Aromatase | 0.014 |
Antiviral | Yes |
Prediction | 0.594001 |