bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-but-2-enedioate

Formula:C24H22N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-but-2-enedioate is a drug-like molecule.

MolName	bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-but-2-enedioate
MolecularFormula	C24H22N2O6
Smiles	O=C(COC(/C=C/C(OCC(N(CC1)c2c1cccc2)=O)=O)=O)N(CC1)c2c1cccc2
InChI	InChI=1S/C24H22N2O6/c27-21(25-13-11-17-5-1-3-7-19(17)25)15-31-23(29)9-10-24(30)32-16-22(28)26-14-12-18-6-2-4-8-20(18)26/h1-10H,11-16H2
InChIK	BEXRQLIOQUVEMY-UHFFFAOYSA-N
TotalMolweight	434.447
Molweight	434.447
MonoisotopicMass	434.147788
CLogP	2.2954
CLogS	-3.7
H Acceptors	8
TotalSurfaceArea	326.68
Relative PSA	0.24262
PolarSurfaceArea	93.22
Druglikeness	-1.7163
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	16
Amides	2
StereoCon

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