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3-[5-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]furan-2-yl]benzoic acid

Formula:C32H21N2O4FS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[5-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
MolName3-[5-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormulaC32H21N2O4FS
SmilesOC(c1cccc(-c2ccc(/C=C3/SC4=NC(c5c(CC6)cccc5)=C6C(c5cc(F)ccc5)N4C3=O)o2)c1)=O
InChIInChI=1S/C32H21FN2O4S/c33-22-9-4-7-20(16-22)29-25-13-11-18-5-1-2-10-24(18)28(25)34-32-35(29)30(36)27(40-32)17-23-12-14-26(39-23)19-6-3-8-21(15-19)31(37)38/h1-10,12,14-17,29H,11,13H2,(H,37,38)/t29-/m0/s1
InChIKCKYGAKWJAJKWCA-LJAQVGFWSA-N
TotalMolweight548.593
Molweight548.593
MonoisotopicMass548.120606
CLogP6.3322
CLogS-7.893
H Acceptors6
H Donors1
TotalSurfaceArea388.34
Relative PSA0.22104
PolarSurfaceArea108.41
Druglikeness2.5591
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
Amides1
AcidicOxygens1
StereoConracemate

Request More Details | 3-[5-[(E)-[11-(3-fluorophenyl)-13-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-14-ylidene]methyl]furan-2-yl]benzoic acid


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