1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea

Formula:C23H20N4O4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea is a drug-like molecule.

MolName	1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
MolecularFormula	C23H20N4O4S2
Smiles	O=C(c1c(c2ccc3)c3ccc1)/C2=N\NC(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S
InChI	InChI=1S/C23H20N4O4S2/c28-22-19-6-2-4-15-3-1-5-18(20(15)19)21(22)25-26-23(32)24-16-7-9-17(10-8-16)33(29,30)27-11-13-31-14-12-27/h1-10H,11-14H2,(H2,24,26,32)
InChIK	AIUDPFCDOHUYDT-UHFFFAOYSA-N
TotalMolweight	480.568
Molweight	480.568
MonoisotopicMass	480.092596
CLogP	3.2673
CLogS	-5.723
H Acceptors	8
H Donors	2
TotalSurfaceArea	340.89
Relative PSA	0.34498
PolarSurfaceArea	140.57
Druglikeness	2.6752
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	5
Amides	1
StereoCon

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