1-(2-hydroxyethyl)-3-phenyl-1-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiourea

Formula:C24H21N3O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2-hydroxyethyl)-3-phenyl-1-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-(2-hydroxyethyl)-3-phenyl-1-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiourea
MolecularFormula	C24H21N3O3S
Smiles	OCCN(C(Nc1ccccc1)=S)/N=C\C1=C(c2ccccc2)Oc(cccc2)c2O1
InChI	InChI=1S/C24H21N3O3S/c28-16-15-27(24(31)26-19-11-5-2-6-12-19)25-17-22-23(18-9-3-1-4-10-18)30-21-14-8-7-13-20(21)29-22/h1-14,17,28H,15-16H2,(H,26,31)
InChIK	QXJUHCITQJFUJC-UHFFFAOYSA-N
TotalMolweight	431.515
Molweight	431.515
MonoisotopicMass	431.130362
CLogP	4.3885
CLogS	-5.193
H Acceptors	6
H Donors	2
TotalSurfaceArea	335.3
Relative PSA	0.26132
PolarSurfaceArea	98.41
Druglikeness	3.5103
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
StereoCon

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