1-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-naphthalen-1-ylthiourea

Formula:C28H26N4OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-naphthalen-1-ylthiourea is not a drug-like molecule.

MolName	1-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-naphthalen-1-ylthiourea
MolecularFormula	C28H26N4OCl2S
Smiles	S=C(Nc1cccc2ccccc12)N/N=C\C(CC/C1=C\c(ccc(Cl)c2)c2Cl)=C1N1CCOCC1
InChI	InChI=1S/C28H26Cl2N4OS/c29-23-11-10-20(25(30)17-23)16-21-8-9-22(27(21)34-12-14-35-15-13-34)18-31-33-28(36)32-26-7-3-5-19-4-1-2-6-24(19)26/h1-7,10-11,16-18H,8-9,12-15H2,(H2,32,33,36)
InChIK	GQGCOHIKVDFNOX-UHFFFAOYSA-N
TotalMolweight	537.513
Molweight	537.513
MonoisotopicMass	536.120435
CLogP	6.5781
CLogS	-7.965
H Acceptors	5
H Donors	2
TotalSurfaceArea	402.34
Relative PSA	0.18885
PolarSurfaceArea	80.98
Druglikeness	3.2247
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	2
StereoCon

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1 - 1-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-naphthalen-1-ylthiourea | 2 - 1-[(Z)-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-naphthalen-1-ylthiourea

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