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(14E)-11-(4-fluorophenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C27H19N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(4-fluorophenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-11-(4-fluorophenyl)-14-[(3-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC27H19N2O2FS
SmilesOc1cccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c(cc4)ccc4F)N3C2=O)c1
InChIInChI=1S/C27H19FN2O2S/c28-19-11-8-18(9-12-19)25-22-13-10-17-5-1-2-7-21(17)24(22)29-27-30(25)26(32)23(33-27)15-16-4-3-6-20(31)14-16/h1-9,11-12,14-15,25,31H,10,13H2/t25-/m0/s1
InChIKJVUJUSGLWFFDOR-VWLOTQADSA-N
TotalMolweight454.524
Molweight454.524
MonoisotopicMass454.115126
CLogP5.5625
CLogS-6.124
H Acceptors4
H Donors1
TotalSurfaceArea321.14
Relative PSA0.18276
PolarSurfaceArea78.2
Druglikeness1.7333
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.42424
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
StereoConracemate

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