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(14E)-14-(furan-2-ylmethylidene)-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:C23H16N2O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (14E)-14-(furan-2-ylmethylidene)-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 a drug-like molecule.
MolName(14E)-14-(furan-2-ylmethylidene)-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
MolecularFormulaC23H16N2O2S2
SmilesO=C(/C(/S1)=C\c2ccco2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1
InChIInChI=1S/C23H16N2O2S2/c26-22-19(13-15-6-3-11-27-15)29-23-24-20-16-7-2-1-5-14(16)9-10-17(20)21(25(22)23)18-8-4-12-28-18/h1-8,11-13,21H,9-10H2/t21-/m0/s1
InChIKKXLDGKWKDJRQDW-NRFANRHFSA-N
TotalMolweight416.524
Molweight416.524
MonoisotopicMass416.065318
CLogP4.8627
CLogS-5.798
H Acceptors4
TotalSurfaceArea294.07
Relative PSA0.27225
PolarSurfaceArea99.35
Druglikeness3.2702
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond2
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms4
Amides1
StereoConracemate

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