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C20H16N2O5F2S | Cheminformatics

(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Molecular Formula : C20H16N2O5F2S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5E)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

MolecularFormula : C20H16N2O5F2S

Smiles : O=C(CN(C(/C(/S1)=C\c2ccc(-c(ccc(F)c3)c3F)o2)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C20H16F2N2O5S/c21-12-1-3-14(15(22)9-12)16-4-2-13(29-16)10-17-19(26)24(20(27)30-17)11-18(25)23-5-7-28-8-6-23/h1-4,9-10H,5-8,11H2

InChIK : XNNFWYMWERAXBJ-UHFFFAOYSA-N

TotalMolweight : 434.418

Molweight : 434.418

MonoisotopicMass : 434.074799

CLogP : 2.202

CLogS : -4.347

H Acceptors : 7

TotalSurfaceArea : 303.26

Relative PSA : 0.28959

PolarSurfaceArea : 105.36

Druglikeness : 3.8171

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 2

StereoCon :

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