[3-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]phenyl]thiourea

Formula:C23H26N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]phenyl]thiourea is a drug-like molecule.

MolName	[3-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]phenyl]thiourea
MolecularFormula	C23H26N4O2S2
Smiles	NC(Nc1cc(C(N(CC2)CC2(CC2)CCN2C(/C=C/c2cscc2)=O)=O)ccc1)=S
InChI	InChI=1S/C23H26N4O2S2/c24-22(30)25-19-3-1-2-18(14-19)21(29)27-12-9-23(16-27)7-10-26(11-8-23)20(28)5-4-17-6-13-31-15-17/h1-6,13-15H,7-12,16H2,(H3,24,25,30)
InChIK	BOYJWJSCTZFINR-UHFFFAOYSA-N
TotalMolweight	454.617
Molweight	454.617
MonoisotopicMass	454.149716
CLogP	3.5269
CLogS	-4.202
H Acceptors	6
H Donors	2
TotalSurfaceArea	343.98
Relative PSA	0.31476
PolarSurfaceArea	139
Druglikeness	5.2326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
StereoCon

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