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MolName : (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-phenylmethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

MolecularFormula : C32H26N2O6

Smiles : O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cc(OCc2ccccc2)ccc1)N(Cc1cnccc1)C1=O)/C1=O

InChI : InChI=1S/C32H26N2O6/c35-30(24-11-12-26-27(17-24)39-15-14-38-26)28-29(34(32(37)31(28)36)19-22-8-5-13-33-18-22)23-9-4-10-25(16-23)40-20-21-6-2-1-3-7-21/h1-13,16-18,29,35H,14-15,19-20H2/t29-/m0/s1

InChIK : MUGQYZSPADBXIW-LJAQVGFWSA-N

TotalMolweight : 534.566

Molweight : 534.566

MonoisotopicMass : 534.179088

CLogP : 3.6832

CLogS : -4.199

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 396.91

Relative PSA : 0.21088

PolarSurfaceArea : 98.19

Druglikeness : -6.5779

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.45

Fragments : 1

Non HAtoms : 40

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 9

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate