[(Z)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-phenylcarbamate

Formula:C17H17N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.

MolName[(Z)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-phenylcarbamate
MolecularFormulaC17H17N3O2S2
SmilesN/C(/c1ccc(C2SCCS2)cc1)=N\OC(Nc1ccccc1)=O
InChIInChI=1S/C17H17N3O2S2/c18-15(20-22-17(21)19-14-4-2-1-3-5-14)12-6-8-13(9-7-12)16-23-10-11-24-16/h1-9,16H,10-11H2,(H2,18,20)(H,19,21)
InChIKOKRRWVNPCLGMGS-UHFFFAOYSA-N
TotalMolweight359.473
Molweight359.473
MonoisotopicMass359.076217
CLogP3.6896
CLogS-5.209
H Acceptors5
H Donors2
TotalSurfaceArea265.22
Relative PSA0.36294
PolarSurfaceArea127.31
Druglikeness-8.7385
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms6
Amides1
StereoCon

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