N-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

Formula:C25H29N3OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide is a drug-like molecule.

MolName	N-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
MolecularFormula	C25H29N3OS2
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(NC(C2)Cc3c2cccc3)=S)CC1
InChI	InChI=1S/C25H29N3OS2/c29-23(6-5-19-7-14-31-17-19)27-11-8-25(9-12-27)10-13-28(18-25)24(30)26-22-15-20-3-1-2-4-21(20)16-22/h1-7,14,17,22H,8-13,15-16,18H2,(H,26,30)
InChIK	HLVKVWFIKXGOHG-UHFFFAOYSA-N
TotalMolweight	451.657
Molweight	451.657
MonoisotopicMass	451.175202
CLogP	4.709
CLogS	-4.468
H Acceptors	4
H Donors	1
TotalSurfaceArea	344.23
Relative PSA	0.23229
PolarSurfaceArea	95.91
Druglikeness	5.1315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	12
Symmetricatoms	6
Amides	1
StereoCon

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1 - N-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide | 2 - N-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide

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