(3S)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one

Formula:C21H22N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none (3S)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one is a drug-like molecule.

MolName	(3S)-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
MolecularFormula	C21H22N2O5
Smiles	O[C@@](CC(/C=C/c1ccco1)=O)(c(cccc1)c1N1CN2CCOCC2)C1=O
InChI	InChI=1S/C21H22N2O5/c24-16(7-8-17-4-3-11-28-17)14-21(26)18-5-1-2-6-19(18)23(20(21)25)15-22-9-12-27-13-10-22/h1-8,11,26H,9-10,12-15H2/t21-/m0/s1
InChIK	ODTQNXDIQLBYIL-NRFANRHFSA-N
TotalMolweight	382.415
Molweight	382.415
MonoisotopicMass	382.152873
CLogP	1.2995
CLogS	-3.282
H Acceptors	7
H Donors	1
TotalSurfaceArea	287.63
Relative PSA	0.24472
PolarSurfaceArea	83.22
Druglikeness	4.9478
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon	this enantiomer

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