[(E)-[amino(phenyl)methylidene]amino] 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

Formula:C17H21N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(phenyl)methylidene]amino] 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is a drug-like molecule.

MolName	[(E)-[amino(phenyl)methylidene]amino] 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
MolecularFormula	C17H21N3O4
Smiles	N/C(/c1ccccc1)=N/OC(CCCCCN(C(CC1)=O)C1=O)=O
InChI	InChI=1S/C17H21N3O4/c18-17(13-7-3-1-4-8-13)19-24-16(23)9-5-2-6-12-20-14(21)10-11-15(20)22/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,19)
InChIK	KJJVSTKLBQGDFL-UHFFFAOYSA-N
TotalMolweight	331.371
Molweight	331.371
MonoisotopicMass	331.153207
CLogP	2.398
CLogS	-3.219
H Acceptors	7
H Donors	1
TotalSurfaceArea	261.12
Relative PSA	0.30427
PolarSurfaceArea	102.06
Druglikeness	-15.334
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	5
Amides	1
StereoCon

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