(4E,5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-ylpyrrolidine-2,3-dione

Formula:C20H18NO4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
MolecularFormula	C20H18NO4ClS
Smiles	O/C(/c(cc1)ccc1Cl)=C(\[C@@H](c1cccs1)N(C[C@H]1OCCC1)C1=O)/C1=O
InChI	InChI=1S/C20H18ClNO4S/c21-13-7-5-12(6-8-13)18(23)16-17(15-4-2-10-27-15)22(20(25)19(16)24)11-14-3-1-9-26-14/h2,4-8,10,14,17,23H,1,3,9,11H2/t14-,17+/m0/s1
InChIK	LMXMEZMBNVWMQZ-WMLDXEAASA-N
TotalMolweight	403.885
Molweight	403.885
MonoisotopicMass	403.064506
CLogP	2.7115
CLogS	-3.579
H Acceptors	5
H Donors	1
TotalSurfaceArea	282.49
Relative PSA	0.25873
PolarSurfaceArea	95.08
Druglikeness	0.60565
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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