3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

Formula:C24H28N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is a drug-like molecule.

MolName3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
MolecularFormulaC24H28N2O6
SmilesOc(cc1)cc(O2)c1C(CC(N(CC1)CCC1N(CC1(CCCCC1)O1)C1=O)=O)=CC2=O
InChIInChI=1S/C24H28N2O6/c27-18-4-5-19-16(13-22(29)31-20(19)14-18)12-21(28)25-10-6-17(7-11-25)26-15-24(32-23(26)30)8-2-1-3-9-24/h4-5,13-14,17,27H,1-3,6-12,15H2
InChIKMLMUCCGMSVXYBI-UHFFFAOYSA-N
TotalMolweight440.494
Molweight440.494
MonoisotopicMass440.194738
CLogP2.4673
CLogS-3.491
H Acceptors8
H Donors1
TotalSurfaceArea318.44
Relative PSA0.24909
PolarSurfaceArea96.38
Druglikeness-6.1163
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.5625
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms16
Symmetricatoms4
Amides2
StereoCon

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