(E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Molecular Formula : C21H20N4O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
MolecularFormula : C21H20N4O3 |
Smiles : O=C(/C=C/c1ncccc1)N1CC(COc2ncnc3ccccc23)OCC1 |
InChI : InChI=1S/C21H20N4O3/c26-20(9-8-16-5-3-4-10-22-16)25-11-12-27-17(13-25)14-28-21-18-6-1-2-7-19(18)23-15-24-21/h1-10,15,17H,11-14H2/t17-/m1/s1 |
InChIK : MQGFJWMIOAQBTD-QGZVFWFLSA-N |
TotalMolweight : 376.415 |
Molweight : 376.415 |
MonoisotopicMass : 376.153541 |
CLogP : 2.1647 |
CLogS : -3.275 |
H Acceptors : 7 |
TotalSurfaceArea : 292.49 |
Relative PSA : 0.23761 |
PolarSurfaceArea : 77.44 |
Druglikeness : 3.0083 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.60714 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 7 |
Amides : 1 |
Aromatic Nitrogens : 3 |
StereoCon : racemate |