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[(12E)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-(4-bromophenyl)methanone

Formula:C26H17N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(12E)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-(4-bromophenyl)methanone is not a drug-like molecule.
MolName[(12E)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-(4-bromophenyl)methanone
MolecularFormulaC26H17N2O3BrS
SmilesNc1c(C(c(cc2)ccc2Br)=O)sc2c1c(-c1ccco1)c(CC/C1=C\c3ccco3)c1n2
InChIInChI=1S/C26H17BrN2O3S/c27-16-8-5-14(6-9-16)24(30)25-22(28)21-20(19-4-2-12-32-19)18-10-7-15(13-17-3-1-11-31-17)23(18)29-26(21)33-25/h1-6,8-9,11-13H,7,10,28H2
InChIKMGAKIGNHFSCXQY-UHFFFAOYSA-N
TotalMolweight517.402
Molweight517.402
MonoisotopicMass516.014324
CLogP5.3934
CLogS-9.233
H Acceptors5
H Donors1
TotalSurfaceArea344.85
Relative PSA0.25478
PolarSurfaceArea110.5
Druglikeness-1.2982
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48485
Fragments1
Non HAtoms33
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms3
Symmetricatoms2
Amines1
Aromatic Amines1
Aromatic Nitrogens1
StereoCon

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