1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Formula:C21H24N4O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is a drug-like molecule.

MolName	1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
MolecularFormula	C21H24N4O3S2
Smiles	O=S(c(cc1)ccc1NC(N/N=C(\CCC1)/c2c1cccc2)=S)(N1CCOCC1)=O
InChI	InChI=1S/C21H24N4O3S2/c26-30(27,25-12-14-28-15-13-25)18-10-8-17(9-11-18)22-21(29)24-23-20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8-11H,3,5,7,12-15H2,(H2,22,24,29)
InChIK	OLYJHBMZQSKXCH-UHFFFAOYSA-N
TotalMolweight	444.579
Molweight	444.579
MonoisotopicMass	444.128981
CLogP	3.3077
CLogS	-4.476
H Acceptors	7
H Donors	2
TotalSurfaceArea	329.82
Relative PSA	0.31702
PolarSurfaceArea	123.5
Druglikeness	1.0094
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	5
Amides	1
StereoCon

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