ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate

Formula:C31H25NO7 Mutagenic:high Tumorigenic:none Reproductive Effective:high ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate is not a drug-like molecule.

MolName	ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
MolecularFormula	C31H25NO7
Smiles	CCc1ccc([C@H]([C@H]([C@H]2C(N3c(cc4)ccc4C(OCC)=O)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1
InChI	InChI=1S/C31H25NO7/c1-3-17-9-11-18(12-10-17)25-23-24(31(39-25)26(33)21-7-5-6-8-22(21)27(31)34)29(36)32(28(23)35)20-15-13-19(14-16-20)30(37)38-4-2/h5-16,23-25H,3-4H2,1-2H3/t23-,24-,25+/m0/s1
InChIK	RYWBKIOCJMLTKQ-CCDWMCETSA-N
TotalMolweight	523.54
Molweight	523.54
MonoisotopicMass	523.163104
CLogP	3.7129
CLogS	-6.16
H Acceptors	8
TotalSurfaceArea	371.28
Relative PSA	0.23904
PolarSurfaceArea	107.05
Druglikeness	-1.0238
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	3
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	9
Amides	1
StereoCon	this enantiomer

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1 - ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate | 2 - ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate

Request More Details | ethyl 4-[(1S,3aR,6aS)-1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate

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