7-morpholin-4-ylsulfonyl-5-[(E)-3-phenylprop-2-enyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one

Formula:C24H27N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-morpholin-4-ylsulfonyl-5-[(E)-3-phenylprop-2-enyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one is a drug-like molecule.

MolName	7-morpholin-4-ylsulfonyl-5-[(E)-3-phenylprop-2-enyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
MolecularFormula	C24H27N3O4S
Smiles	O=C1N(C/C=C/c2ccccc2)c(cc(cc2)S(N3CCOCC3)(=O)=O)c2N2C1CCC2
InChI	InChI=1S/C24H27N3O4S/c28-24-22-9-5-12-26(22)21-11-10-20(32(29,30)25-14-16-31-17-15-25)18-23(21)27(24)13-4-8-19-6-2-1-3-7-19/h1-4,6-8,10-11,18,22H,5,9,12-17H2/t22-/m1/s1
InChIK	JMZOYLRJEOLPTP-JOCHJYFZSA-N
TotalMolweight	453.561
Molweight	453.561
MonoisotopicMass	453.172227
CLogP	2.44
CLogS	-3.626
H Acceptors	7
TotalSurfaceArea	328.83
Relative PSA	0.18937
PolarSurfaceArea	78.54
Druglikeness	4.7437
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	5
Amides	2
Amines	1
Aromatic Amines	1
StereoCon	racemate

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