(E)-1-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

Formula:C28H26N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C28H26N2O3S
Smiles	O=C(/C=C/c1cscc1)N1CCC(CC2)(CN2C(c2ccc(C#Cc3ccccc3)o2)=O)CC1
InChI	InChI=1S/C28H26N2O3S/c31-26(11-7-23-12-19-34-20-23)29-16-13-28(14-17-29)15-18-30(21-28)27(32)25-10-9-24(33-25)8-6-22-4-2-1-3-5-22/h1-5,7,9-12,19-20H,13-18,21H2
InChIK	QTVPMPDWCMIYJU-UHFFFAOYSA-N
TotalMolweight	470.591
Molweight	470.591
MonoisotopicMass	470.166413
CLogP	5.4757
CLogS	-4.255
H Acceptors	5
TotalSurfaceArea	370.54
Relative PSA	0.18257
PolarSurfaceArea	82
Druglikeness	2.3578
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	4
Amides	2
StereoCon

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1 - (E)-1-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one | 2 - (E)-1-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one

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