3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C22H23N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormulaC22H23N3O3
SmilesO=C(C1(CCCCC1)NC1=O)N1/N=C\c1cc(OCc2ccccc2)ccc1
InChIInChI=1S/C22H23N3O3/c26-20-22(12-5-2-6-13-22)24-21(27)25(20)23-15-18-10-7-11-19(14-18)28-16-17-8-3-1-4-9-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,24,27)
InChIKHLPHBJDVKSVZBZ-UHFFFAOYSA-N
TotalMolweight377.443
Molweight377.443
MonoisotopicMass377.173942
CLogP3.4989
CLogS-5.077
H Acceptors6
H Donors1
TotalSurfaceArea291.01
Relative PSA0.21511
PolarSurfaceArea71
Druglikeness1.3269
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.60714
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides1
StereoCon

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