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

Formula:C36H26N3OFS Mutagenic:none Tumorigenic:none Reproductive Effective:high (14E)-14-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-11-phenyl-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-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC36H26N3OFS
SmilesO=C(/C(/S1)=C\c2cn(Cc(cccc3)c3F)c3c2cccc3)N2C1=NC(c1c(CC3)cccc1)=C3C2c1ccccc1
InChIInChI=1S/C36H26FN3OS/c37-30-16-8-5-13-25(30)21-39-22-26(27-14-7-9-17-31(27)39)20-32-35(41)40-34(24-11-2-1-3-12-24)29-19-18-23-10-4-6-15-28(23)33(29)38-36(40)42-32/h1-17,20,22,34H,18-19,21H2/t34-/m0/s1
InChIKSJZZWPWUHATCRF-UMSFTDKQSA-N
TotalMolweight567.686
Molweight567.686
MonoisotopicMass567.17806
CLogP7.4379
CLogS-7.398
H Acceptors4
TotalSurfaceArea412.11
Relative PSA0.1273
PolarSurfaceArea62.9
Druglikeness2.6186
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.42857
Fragments1
Non HAtoms42
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond4
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms5
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoConracemate

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