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

Formula:C32H21N2O2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-phenyl-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]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-phenyl-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC32H21N2O2F3S
SmilesO=C(/C(/S1)=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1ccccc1
InChIInChI=1S/C32H21F3N2O2S/c33-32(34,35)22-11-6-10-21(17-22)26-16-14-23(39-26)18-27-30(38)37-29(20-8-2-1-3-9-20)25-15-13-19-7-4-5-12-24(19)28(25)36-31(37)40-27/h1-12,14,16-18,29H,13,15H2/t29-/m0/s1
InChIKKSFQLMFYFNNDFP-LJAQVGFWSA-N
TotalMolweight554.591
Molweight554.591
MonoisotopicMass554.127582
CLogP7.5946
CLogS-8.344
H Acceptors4
TotalSurfaceArea387.35
Relative PSA0.15412
PolarSurfaceArea71.11
Druglikeness-3.2452
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.45
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Symmetricatoms4
Amides1
StereoConracemate

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