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N-benzhydryl-2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide

Formula:C32H32N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-benzhydryl-2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide is not a drug-like molecule.
MolNameN-benzhydryl-2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide
MolecularFormulaC32H32N5O2S2
SmilesO=C(CSc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nc[nH+]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31N5O2S2/c38-25(35-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22)19-40-32-29-28(33-20-34-32)26-23-13-7-8-14-24(23)30(36-31(26)41-29)37-15-17-39-18-16-37/h1-6,9-12,20,27H,7-8,13-19H2,(H,35,38)/p+1
InChIKILIUHNJHUIYCAB-UHFFFAOYSA-O
TotalMolweight582.771
Molweight582.771
MonoisotopicMass582.19974
CLogP3.3903
CLogS-7.63
H Acceptors7
H Donors2
TotalSurfaceArea419.57
Relative PSA0.23319
PolarSurfaceArea135.03
Druglikeness-2.1255
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46341
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms13
Symmetricatoms10
Amides1
Aromatic Nitrogens3
BasicNitrogens1
StereoCon

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