N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Formula:C26H20N4OS3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
MolecularFormula	C26H20N4OS3
Smiles	O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C26H20N4OS3/c31-24(17-33-26-30-29-25(34-26)32-16-18-8-2-1-3-9-18)28-27-15-23-21-12-6-4-10-19(21)14-20-11-5-7-13-22(20)23/h1-15H,16-17H2,(H,28,31)
InChIK	SXMSSMRYBYXDPB-UHFFFAOYSA-N
TotalMolweight	500.67
Molweight	500.67
MonoisotopicMass	500.079921
CLogP	6.8018
CLogS	-9.552
H Acceptors	5
H Donors	1
TotalSurfaceArea	371.91
Relative PSA	0.30462
PolarSurfaceArea	146.08
Druglikeness	5.1323
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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