3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C16H17N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormula	C16H17N3O4
Smiles	O=C(C1(CCCCC1)NC1=O)N1/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H17N3O4/c20-14-16(6-2-1-3-7-16)18-15(21)19(14)17-9-11-4-5-12-13(8-11)23-10-22-12/h4-5,8-9H,1-3,6-7,10H2,(H,18,21)
InChIK	SXNHOYWTZHMSNA-UHFFFAOYSA-N
TotalMolweight	315.328
Molweight	315.328
MonoisotopicMass	315.121907
CLogP	2.2622
CLogS	-4.447
H Acceptors	7
H Donors	1
TotalSurfaceArea	227.75
Relative PSA	0.31877
PolarSurfaceArea	80.23
Druglikeness	1.4665
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	2
Amides	1
StereoCon

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1 - 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

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