C21H18N3OFS | Cheminformatics

5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

Formula:C21H18N3OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is a drug-like molecule.

MolName5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
MolecularFormulaC21H18N3OFS
SmilesCN(C(C(S1)=Cc2cn(Cc(cc3)ccc3F)c3c2cccc3)=O)/C1=N\C
InChIInChI=1S/C21H18FN3OS/c1-23-21-24(2)20(26)19(27-21)11-15-13-25(18-6-4-3-5-17(15)18)12-14-7-9-16(22)10-8-14/h3-11,13H,12H2,1-2H3
InChIKGDPBFCNCOOJXKE-UHFFFAOYSA-N
TotalMolweight379.458
Molweight379.458
MonoisotopicMass379.11546
CLogP3.4992
CLogS-4.135
H Acceptors4
TotalSurfaceArea281.17
Relative PSA0.18658
PolarSurfaceArea62.9
Druglikeness4.0818
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55556
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms4
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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