Chemoinformaics analysis of Intermedine
Molecular Weight | 299.367 | nRot | 5 |
Heavy Atom Molecular Weight | 274.167 | nRig | 6 |
Exact Molecular Weight | 299.173 | nRing | 2 |
Solubility: LogS | -3.292 | nHRing | 2 |
Solubility: LogP | 3.574 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 46.8298 |
nHD | 3 | BPOL | 29.3942 |
QED | 0.501 |
Synth | 3.793 |
Natural Product Likeliness | 1.646 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.866 |
Pgp-sub | 0.006 |
HIA | 0.011 |
CACO-2 | -4.449 |
MDCK | 0.0000241 |
BBB | 0.915 |
PPB | 0.783551 |
VDSS | 1.642 |
FU | 0.305236 |
CYP1A2-inh | 0.2 |
CYP1A2-sub | 0.129 |
CYP2c19-inh | 0.083 |
CYP2c19-sub | 0.881 |
CYP2c9-inh | 0.107 |
CYP2c9-sub | 0.26 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.51 |
CYP3a4-inh | 0.043 |
CYP3a4-sub | 0.415 |
CL | 5.687 |
T12 | 0.239 |
hERG | 0.003 |
Ames | 0.07 |
ROA | 0.035 |
SkinSen | 0.109 |
Carcinogencity | 0.053 |
EI | 0.904 |
Respiratory | 0.742 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.844678 |