1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea

Formula:C16H15N3O3Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea is a drug-like molecule.

MolName	1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea
MolecularFormula	C16H15N3O3Cl2S2
Smiles	O=S(CC1)(C[C@H]1NC(N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=S)=O
InChI	InChI=1S/C16H15Cl2N3O3S2/c17-10-1-3-14(18)13(7-10)15-4-2-12(24-15)8-19-21-16(25)20-11-5-6-26(22,23)9-11/h1-4,7-8,11H,5-6,9H2,(H2,20,21,25)/t11-/m0/s1
InChIK	YWRVNCXMBOPJLM-NSHDSACASA-N
TotalMolweight	432.351
Molweight	432.351
MonoisotopicMass	430.993186
CLogP	3.3981
CLogS	-6.29
H Acceptors	6
H Donors	2
TotalSurfaceArea	302.8
Relative PSA	0.34716
PolarSurfaceArea	124.17
Druglikeness	2.464
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	1
StereoCon	this enantiomer

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1 - 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea | 2 - 1-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-[(3S)-1,1-dioxothiolan-3-yl]thiourea

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