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(14Z)-11-(4-fluorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C31H21N2OFS Mutagenic:none Tumorigenic:high Reproductive Effective:high (14Z)-11-(4-fluorophenyl)-14-(naphthalen-1-ylmethylidene)-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)-11-(4-fluorophenyl)-14-(naphthalen-1-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC31H21N2OFS
SmilesO=C(/C(/S1)=C/c2cccc3ccccc23)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cc1)ccc1F
InChIInChI=1S/C31H21FN2OS/c32-23-15-12-21(13-16-23)29-26-17-14-20-7-2-4-11-25(20)28(26)33-31-34(29)30(35)27(36-31)18-22-9-5-8-19-6-1-3-10-24(19)22/h1-13,15-16,18,29H,14,17H2/t29-/m0/s1
InChIKIBULEWIIQGPLNL-LJAQVGFWSA-N
TotalMolweight488.585
Molweight488.585
MonoisotopicMass488.135861
CLogP7.1026
CLogS-8.026
H Acceptors3
TotalSurfaceArea349.39
Relative PSA0.13048
PolarSurfaceArea57.97
Druglikeness1.7256
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41667
Fragments1
Non HAtoms36
NonCHAtoms5
Electronegative Atoms5
StereoCenters1
Rotatable Bond2
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
Symmetricatoms2
Amides1
StereoConracemate

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