4-[[4-[(E)-3-phenylsulfanylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

Formula:C23H23NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(E)-3-phenylsulfanylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is a drug-like molecule.

MolName	4-[[4-[(E)-3-phenylsulfanylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
MolecularFormula	C23H23NO4S
Smiles	O=C(/C=C/Sc1ccccc1)N1CC(COc2c(CCC3=O)c3ccc2)OCC1
InChI	InChI=1S/C23H23NO4S/c25-21-10-9-20-19(21)7-4-8-22(20)28-16-17-15-24(12-13-27-17)23(26)11-14-29-18-5-2-1-3-6-18/h1-8,11,14,17H,9-10,12-13,15-16H2/t17-/m1/s1
InChIK	VFLBOWTUQRIPGD-QGZVFWFLSA-N
TotalMolweight	409.505
Molweight	409.505
MonoisotopicMass	409.134779
CLogP	3.317
CLogS	-4.415
H Acceptors	5
TotalSurfaceArea	310.87
Relative PSA	0.21591
PolarSurfaceArea	81.14
Druglikeness	2.3397
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon	racemate

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