N-(1-adamantyl)-2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

Formula:C22H24N2O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-(1-adamantyl)-2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(1-adamantyl)-2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H24N2O2S2
Smiles	O=C(CN(C(/C(/S1)=C\c2ccccc2)=O)C1=S)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C22H24N2O2S2/c25-19(23-22-10-15-6-16(11-22)8-17(7-15)12-22)13-24-20(26)18(28-21(24)27)9-14-4-2-1-3-5-14/h1-5,9,15-17H,6-8,10-13H2,(H,23,25)
InChIK	NMEPTTVDOWQLRL-UHFFFAOYSA-N
TotalMolweight	412.577
Molweight	412.577
MonoisotopicMass	412.127918
CLogP	2.556
CLogS	-5.24
H Acceptors	4
H Donors	1
TotalSurfaceArea	295.66
Relative PSA	0.29284
PolarSurfaceArea	106.8
Druglikeness	5.7566
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	8
Amides	2
StereoCon

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