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C25H22N3O4FS | Cheminformatics
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(5Z)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Molecular Formula : C25H22N3O4FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5Z)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

MolecularFormula : C25H22N3O4FS

Smiles : O=C(CN(C(/C(/S1)=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C25H22FN3O4S/c26-20-7-3-1-5-17(20)14-28-15-18(19-6-2-4-8-21(19)28)13-22-24(31)29(25(32)34-22)16-23(30)27-9-11-33-12-10-27/h1-8,13,15H,9-12,14,16H2

InChIK : JVLGZMPFHVRGFR-UHFFFAOYSA-N

TotalMolweight : 479.531

Molweight : 479.531

MonoisotopicMass : 479.131505

CLogP : 2.692

CLogS : -3.551

H Acceptors : 7

TotalSurfaceArea : 344.78

Relative PSA : 0.23371

PolarSurfaceArea : 97.15

Druglikeness : 3.1651

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.52941

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (5Z)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
2 - (5Z)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
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