Chemoinformaics analysis of Zaluzanin D
Molecular Weight | 288.343 | nRot | 1 |
Heavy Atom Molecular Weight | 268.183 | nRig | 20 |
Exact Molecular Weight | 288.136 | nRing | 3 |
Solubility: LogS | -3.329 | nHRing | 1 |
Solubility: LogP | 2.113 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 44.9339 |
nHD | 0 | BPOL | 25.2721 |
QED | 0.423 |
Synth | 4.572 |
Natural Product Likeliness | 3.439 |
NR-PPAR-gamma | 0.069 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0 |
HIA | 0.016 |
CACO-2 | -4.685 |
MDCK | 0.000130004 |
BBB | 0.798 |
PPB | 0.62473 |
VDSS | 1.458 |
FU | 0.457574 |
CYP1A2-inh | 0.462 |
CYP1A2-sub | 0.087 |
CYP2c19-inh | 0.042 |
CYP2c19-sub | 0.263 |
CYP2c9-inh | 0.108 |
CYP2c9-sub | 0.06 |
CYP2d6-inh | 0.025 |
CYP2d6-sub | 0.116 |
CYP3a4-inh | 0.163 |
CYP3a4-sub | 0.23 |
CL | 7.767 |
T12 | 0.227 |
hERG | 0.03 |
Ames | 0.037 |
ROA | 0.86 |
SkinSen | 0.259 |
Carcinogencity | 0.405 |
EI | 0.513 |
Respiratory | 0.98 |
NR-Aromatase | 0.776 |
Antiviral | Yes |
Prediction | 0.793531 |