bis[2-(cyclopentylamino)-2-oxoethyl] (E)-but-2-enedioate

Formula:C18H26N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-(cyclopentylamino)-2-oxoethyl] (E)-but-2-enedioate is a drug-like molecule.

MolName	bis[2-(cyclopentylamino)-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C18H26N2O6
Smiles	O=C(COC(/C=C/C(OCC(NC1CCCC1)=O)=O)=O)NC1CCCC1
InChI	InChI=1S/C18H26N2O6/c21-15(19-13-5-1-2-6-13)11-25-17(23)9-10-18(24)26-12-16(22)20-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,19,21)(H,20,22)
InChIK	IJOSBZQWCGUKPO-UHFFFAOYSA-N
TotalMolweight	366.412
Molweight	366.412
MonoisotopicMass	366.179088
CLogP	0.5318
CLogS	-2.644
H Acceptors	8
H Donors	2
TotalSurfaceArea	289.52
Relative PSA	0.32841
PolarSurfaceArea	110.8
Druglikeness	-5.0937
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Sp3Atoms	14
Symmetricatoms	15
Amides	2
StereoCon

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