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(14E)-11-(4-fluorophenyl)-14-[(5-morpholin-4-ylfuran-2-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C29H24N3O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-(4-fluorophenyl)-14-[(5-morpholin-4-ylfuran-2-yl)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-[(5-morpholin-4-ylfuran-2-yl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC29H24N3O3FS
SmilesO=C(/C(/S1)=C\c2ccc(N3CCOCC3)o2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1F
InChIInChI=1S/C29H24FN3O3S/c30-20-8-5-19(6-9-20)27-23-11-7-18-3-1-2-4-22(18)26(23)31-29-33(27)28(34)24(37-29)17-21-10-12-25(36-21)32-13-15-35-16-14-32/h1-6,8-10,12,17,27H,7,11,13-16H2/t27-/m0/s1
InChIKHDVJVWRWMLOLSM-MHZLTWQESA-N
TotalMolweight513.592
Molweight513.592
MonoisotopicMass513.15224
CLogP5.1173
CLogS-6.73
H Acceptors6
TotalSurfaceArea366.32
Relative PSA0.19996
PolarSurfaceArea83.58
Druglikeness2.8362
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45946
Fragments1
Non HAtoms37
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms4
Amides1
StereoConracemate

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