4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Formula:C22H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a drug-like molecule.

MolName	4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
MolecularFormula	C22H22N2O4
Smiles	O=C(/C=C\c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)N1CCOCC1
InChI	InChI=1S/C22H22N2O4/c25-18(23-8-10-28-11-9-23)7-4-14-2-1-3-17(12-14)24-21(26)19-15-5-6-16(13-15)20(19)22(24)27/h1-7,12,15-16,19-20H,8-11,13H2
InChIK	GXNVKMBLTGVBOU-UHFFFAOYSA-N
TotalMolweight	378.427
Molweight	378.427
MonoisotopicMass	378.157958
CLogP	1.5791
CLogS	-3.236
H Acceptors	6
TotalSurfaceArea	274.91
Relative PSA	0.2045
PolarSurfaceArea	66.92
Druglikeness	2.5226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	3
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	7
Amides	2
StereoCon	unknown chirality

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1 - 4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | 2 - 4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

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