(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

Formula:C21H20N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
MolecularFormula	C21H20N2O4S
Smiles	N#C/C(/C(NC(CC1)CS1(=O)=O)=O)=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C21H20N2O4S/c22-13-18(21(24)23-19-10-11-28(25,26)15-19)12-16-6-8-20(9-7-16)27-14-17-4-2-1-3-5-17/h1-9,12,19H,10-11,14-15H2,(H,23,24)/t19-/m1/s1
InChIK	GJFMOKMQZUVEMR-LJQANCHMSA-N
TotalMolweight	396.466
Molweight	396.466
MonoisotopicMass	396.114378
CLogP	1.9914
CLogS	-4.148
H Acceptors	6
H Donors	1
TotalSurfaceArea	301.27
Relative PSA	0.25439
PolarSurfaceArea	104.64
Druglikeness	-11.874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Amides	1
StereoCon	racemate

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