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(6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C28H25N6O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC28H25N6O2FS
SmilesN=C(/C1=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N2N=C(CC(N3CCCCC3)=O)SC2=NC1=O
InChIInChI=1S/C28H25FN6O2S/c29-22-10-4-2-8-18(22)16-34-17-19(20-9-3-5-11-23(20)34)14-21-26(30)35-28(31-27(21)37)38-24(32-35)15-25(36)33-12-6-1-7-13-33/h2-5,8-11,14,17,30H,1,6-7,12-13,15-16H2
InChIKWAWRHCKEZDFIOO-UHFFFAOYSA-N
TotalMolweight528.611
Molweight528.611
MonoisotopicMass528.174372
CLogP2.722
CLogS-3.459
H Acceptors8
H Donors1
TotalSurfaceArea383.54
Relative PSA0.25072
PolarSurfaceArea119.42
Druglikeness4.0168
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms8
Symmetricatoms2
Amides1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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