Chemoinformaics analysis of Narciclasine
Molecular Weight | 307.258 | nRot | 0 |
Heavy Atom Molecular Weight | 294.154 | nRig | 22 |
Exact Molecular Weight | 307.069 | nRing | 4 |
Solubility: LogS | -2.726 | nHRing | 2 |
Solubility: LogP | -0.701 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 38.7623 |
nHD | 5 | BPOL | 17.9517 |
QED | 0.453 |
Synth | 4.653 |
Natural Product Likeliness | 1.492 |
NR-PPAR-gamma | 0.044 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.208 |
HIA | 0.019 |
CACO-2 | -5.558 |
MDCK | 0.00000515 |
BBB | 0.49 |
PPB | 0.460463 |
VDSS | 1.239 |
FU | 0.707585 |
CYP1A2-inh | 0.069 |
CYP1A2-sub | 0.121 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.562 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.371 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.155 |
CYP3a4-inh | 0.087 |
CYP3a4-sub | 0.257 |
CL | 3.854 |
T12 | 0.617 |
hERG | 0.021 |
Ames | 0.287 |
ROA | 0.046 |
SkinSen | 0.185 |
Carcinogencity | 0.117 |
EI | 0.008 |
Respiratory | 0.771 |
NR-Aromatase | 0.016 |
Antiviral | Yes |
Prediction | 0.680611 |