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

Formula:C26H25N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[5-(2-nitrophenyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[5-(2-nitrophenyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
MolecularFormula	C26H25N3O5S
Smiles	[O-][N+](c(cccc1)c1-c1ccc(C(N(CC2)CC2(CC2)CCN2C(/C=C/c2cscc2)=O)=O)o1)=O
InChI	InChI=1S/C26H25N3O5S/c30-24(8-5-19-9-16-35-17-19)27-13-10-26(11-14-27)12-15-28(18-26)25(31)23-7-6-22(34-23)20-3-1-2-4-21(20)29(32)33/h1-9,16-17H,10-15,18H2
InChIK	DOQSQXOZCKWPHY-UHFFFAOYSA-N
TotalMolweight	491.567
Molweight	491.567
MonoisotopicMass	491.151492
CLogP	4.0663
CLogS	-5.433
H Acceptors	8
TotalSurfaceArea	364.41
Relative PSA	0.26912
PolarSurfaceArea	127.82
Druglikeness	1.054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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