1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Formula:C26H24N4O3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is not a drug-like molecule.

MolName	1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
MolecularFormula	C26H24N4O3S2
Smiles	O=S(c(cc1)ccc1NC(N/N=C\c1c(cccc2)c2cc2ccccc12)=S)(N1CCOCC1)=O
InChI	InChI=1S/C26H24N4O3S2/c31-35(32,30-13-15-33-16-14-30)22-11-9-21(10-12-22)28-26(34)29-27-18-25-23-7-3-1-5-19(23)17-20-6-2-4-8-24(20)25/h1-12,17-18H,13-16H2,(H2,28,29,34)
InChIK	IIEIJVNOXXBHCL-UHFFFAOYSA-N
TotalMolweight	504.634
Molweight	504.634
MonoisotopicMass	504.128981
CLogP	5.0238
CLogS	-6.739
H Acceptors	7
H Donors	2
TotalSurfaceArea	373.03
Relative PSA	0.2803
PolarSurfaceArea	123.5
Druglikeness	2.2811
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	7
Symmetricatoms	11
Amides	1
StereoCon

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