Chemoinformaics analysis of Siderin
Molecular Weight | 220.224 | nRot | 2 |
Heavy Atom Molecular Weight | 208.128 | nRig | 12 |
Exact Molecular Weight | 220.074 | nRing | 2 |
Solubility: LogS | -2.487 | nHRing | 1 |
Solubility: LogP | 2.231 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 4 | No. of Arom Bond | 11 |
nHA | 4 | APOL | 31.2495 |
nHD | 0 | BPOL | 18.1145 |
QED | 0.727 |
Synth | 2.071 |
Natural Product Likeliness | 0.513 |
NR-PPAR-gamma | 0.047 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.013 |
Pgp-sub | 0.361 |
HIA | 0.006 |
CACO-2 | -4.762 |
MDCK | 0.0000319 |
BBB | 0.264 |
PPB | 0.788601 |
VDSS | 0.913 |
FU | 0.166547 |
CYP1A2-inh | 0.969 |
CYP1A2-sub | 0.968 |
CYP2c19-inh | 0.553 |
CYP2c19-sub | 0.799 |
CYP2c9-inh | 0.174 |
CYP2c9-sub | 0.88 |
CYP2d6-inh | 0.328 |
CYP2d6-sub | 0.919 |
CYP3a4-inh | 0.329 |
CYP3a4-sub | 0.395 |
CL | 10.969 |
T12 | 0.695 |
hERG | 0.062 |
Ames | 0.254 |
ROA | 0.065 |
SkinSen | 0.266 |
Carcinogencity | 0.065 |
EI | 0.985 |
Respiratory | 0.207 |
NR-Aromatase | 0.251 |
Antiviral | No |
Prediction | 0.717485 |