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

Formula:C27H17N2OCl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(2,4-dichlorophenyl)-14-[(4-fluorophenyl)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-(2,4-dichlorophenyl)-14-[(4-fluorophenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC27H17N2OCl2FS
SmilesO=C(/C(/S1)=C\c(cc2)ccc2F)N2C1=NC(c1c(CC3)cccc1)=C3C2c(ccc(Cl)c1)c1Cl
InChIInChI=1S/C27H17Cl2FN2OS/c28-17-8-12-20(22(29)14-17)25-21-11-7-16-3-1-2-4-19(16)24(21)31-27-32(25)26(33)23(34-27)13-15-5-9-18(30)10-6-15/h1-6,8-10,12-14,25H,7,11H2/t25-/m1/s1
InChIKJTDLEOLFPHBAEL-RUZDIDTESA-N
TotalMolweight507.415
Molweight507.415
MonoisotopicMass506.042265
CLogP7.1202
CLogS-7.892
H Acceptors3
TotalSurfaceArea345.63
Relative PSA0.1319
PolarSurfaceArea57.97
Druglikeness1.7751
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44118
Fragments1
Non HAtoms34
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms2
Amides1
StereoConracemate

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