Chemoinformaics analysis of Nudaphantin
Molecular Weight | 390.432 | nRot | 4 |
Heavy Atom Molecular Weight | 364.224 | nRig | 23 |
Exact Molecular Weight | 390.168 | nRing | 4 |
Solubility: LogS | -2.956 | nHRing | 3 |
Solubility: LogP | 1.818 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 21 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 58.0206 |
nHD | 0 | BPOL | 36.4994 |
QED | 0.315 |
Synth | 6.349 |
Natural Product Likeliness | 3.222 |
NR-PPAR-gamma | 0.77 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.006 |
Pgp-sub | 0 |
HIA | 0.019 |
CACO-2 | -4.846 |
MDCK | 0.0000194 |
BBB | 0.112 |
PPB | 0.470183 |
VDSS | 2.374 |
FU | 0.157843 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.503 |
CYP2c19-inh | 0.125 |
CYP2c19-sub | 0.785 |
CYP2c9-inh | 0.288 |
CYP2c9-sub | 0.03 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.138 |
CYP3a4-inh | 0.424 |
CYP3a4-sub | 0.245 |
CL | 12.36 |
T12 | 0.067 |
hERG | 0.001 |
Ames | 0.744 |
ROA | 0.933 |
SkinSen | 0.306 |
Carcinogencity | 0.788 |
EI | 0.038 |
Respiratory | 0.851 |
NR-Aromatase | 0.799 |
Antiviral | Yes |
Prediction | 0.643879 |