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(14Z)-14-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C36H24N2O2I2S2 Mutagenic:low Tumorigenic:high Reproductive Effective:high (14Z)-14-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-11-thiophen-2-yl-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(14Z)-14-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC36H24N2O2I2S2
SmilesO=C(/C(/S1)=C/c(cc2I)cc(I)c2OCc2cccc3ccccc23)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C36H24I2N2O2S2/c37-28-17-21(18-29(38)34(28)42-20-24-10-5-9-22-7-1-3-11-25(22)24)19-31-35(41)40-33(30-13-6-16-43-30)27-15-14-23-8-2-4-12-26(23)32(27)39-36(40)44-31/h1-13,16-19,33H,14-15,20H2/t33-/m1/s1
InChIKZPZLQPYDGSZTTG-MGBGTMOVSA-N
TotalMolweight834.531
Molweight834.531
MonoisotopicMass833.936864
CLogP9.0907
CLogS-11.095
H Acceptors4
TotalSurfaceArea475.06
Relative PSA0.15987
PolarSurfaceArea95.44
Druglikeness3.8242
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.47727
Fragments1
Non HAtoms44
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond5
Rings Closures8
Small Rings8
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms6
Symmetricatoms3
Amides1
StereoConracemate

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