(E)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Formula:C24H28N4O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C24H28N4O5S2
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NC(Nc(cc1)ccc1N1CCOCC1)=S
InChI	InChI=1S/C24H28N4O5S2/c29-23(26-24(34)25-20-4-6-21(7-5-20)27-11-15-32-16-12-27)10-3-19-1-8-22(9-2-19)35(30,31)28-13-17-33-18-14-28/h1-10H,11-18H2,(H2,25,26,29,34)
InChIK	UOBPZFOFEWZPQK-UHFFFAOYSA-N
TotalMolweight	516.641
Molweight	516.641
MonoisotopicMass	516.150111
CLogP	2.0305
CLogS	-3.352
H Acceptors	9
H Donors	2
TotalSurfaceArea	385.16
Relative PSA	0.31062
PolarSurfaceArea	140.68
Druglikeness	0.20187
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65714
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	9
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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