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

Formula:C34H23N2O2Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-(3-fluorophenyl)-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)-14-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-11-(3-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H23N2O2Cl2FS
SmilesO=C(/C(/S1)=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cc(F)ccc1
InChIInChI=1S/C34H23Cl2FN2O2S/c35-24-14-12-23(28(36)18-24)19-41-29-11-4-2-7-21(29)17-30-33(40)39-32(22-8-5-9-25(37)16-22)27-15-13-20-6-1-3-10-26(20)31(27)38-34(39)42-30/h1-12,14,16-18,32H,13,15,19H2/t32-/m1/s1
InChIKSWUMTMONCAUADT-JGCGQSQUSA-N
TotalMolweight613.539
Molweight613.539
MonoisotopicMass612.08413
CLogP8.4683
CLogS-9.233
H Acceptors4
TotalSurfaceArea429.15
Relative PSA0.12954
PolarSurfaceArea67.2
Druglikeness1.5834
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45238
Fragments1
Non HAtoms42
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Amides1
StereoConracemate

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