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(11S,14E)-11-(2-methoxyphenyl)-14-[(3,4,5-trimethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C31H28N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (11S,14E)-11-(2-methoxyphenyl)-14-[(3,4,5-trimethoxyphenyl)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(11S,14E)-11-(2-methoxyphenyl)-14-[(3,4,5-trimethoxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC31H28N2O5S
SmilesCOc1c([C@H]2N(C(/C(/S3)=C\c(cc4OC)cc(OC)c4OC)=O)C3=NC3=C2CCc2c3cccc2)cccc1
InChIInChI=1S/C31H28N2O5S/c1-35-23-12-8-7-11-21(23)28-22-14-13-19-9-5-6-10-20(19)27(22)32-31-33(28)30(34)26(39-31)17-18-15-24(36-2)29(38-4)25(16-18)37-3/h5-12,15-17,28H,13-14H2,1-4H3/t28-/m0/s1
InChIKAPJFLTXMXIBAMD-NDEPHWFRSA-N
TotalMolweight540.638
Molweight540.638
MonoisotopicMass540.171893
CLogP5.5274
CLogS-6.178
H Acceptors7
TotalSurfaceArea397.48
Relative PSA0.21533
PolarSurfaceArea94.89
Druglikeness3.0932
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41026
Fragments1
Non HAtoms39
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms12
Symmetricatoms4
Amides1
StereoConthis enantiomer

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