(E)-3-(4-nitrophenyl)-1-[4-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one

Formula:C21H21N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-1-[4-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-1-[4-(thiophene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
MolecularFormula	C21H21N3O4S2
Smiles	[O-][N+](c1ccc(/C=C/C(N(CC2)CCC22SCCN2C(c2cccs2)=O)=O)cc1)=O
InChI	InChI=1S/C21H21N3O4S2/c25-19(8-5-16-3-6-17(7-4-16)24(27)28)22-11-9-21(10-12-22)23(13-15-30-21)20(26)18-2-1-14-29-18/h1-8,14H,9-13,15H2
InChIK	QDSAPUUWQYOAJO-UHFFFAOYSA-N
TotalMolweight	443.547
Molweight	443.547
MonoisotopicMass	443.097347
CLogP	3.5687
CLogS	-5.043
H Acceptors	7
TotalSurfaceArea	318.69
Relative PSA	0.31833
PolarSurfaceArea	139.98
Druglikeness	-0.53636
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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