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

Formula:C34H24N2O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-11-(3-fluorophenyl)-14-[[2-[(2-fluorophenyl)methoxy]phenyl]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-(3-fluorophenyl)-14-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H24N2O2F2S
SmilesO=C(/C(/S1)=C\c(cccc2)c2OCc(cccc2)c2F)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cc(F)ccc1
InChIInChI=1S/C34H24F2N2O2S/c35-25-12-7-11-23(18-25)32-27-17-16-21-8-1-4-13-26(21)31(27)37-34-38(32)33(39)30(41-34)19-22-9-3-6-15-29(22)40-20-24-10-2-5-14-28(24)36/h1-15,18-19,32H,16-17,20H2/t32-/m0/s1
InChIKHCSWMIKVVSJCME-YTTGMZPUSA-N
TotalMolweight562.639
Molweight562.639
MonoisotopicMass562.152654
CLogP7.3571
CLogS-8.075
H Acceptors4
TotalSurfaceArea404.66
Relative PSA0.13737
PolarSurfaceArea67.2
Druglikeness1.5233
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Amides1
StereoConracemate

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