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3-[(5Z)-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C25H22N5O4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.
MolName3-[(5Z)-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormulaC25H22N5O4FS2
SmilesOC(CCN(C(/C(/S1)=C/C2=C(N(CC3)CCN3c(cccc3)c3F)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O
InChIInChI=1S/C25H22FN5O4S2/c26-17-5-1-2-6-18(17)28-11-13-29(14-12-28)22-16(23(34)30-9-4-3-7-20(30)27-22)15-19-24(35)31(25(36)37-19)10-8-21(32)33/h1-7,9,15H,8,10-14H2,(H,32,33)
InChIKOZAMZCMIURCMAB-UHFFFAOYSA-N
TotalMolweight539.611
Molweight539.611
MonoisotopicMass539.109723
CLogP0.7311
CLogS-4.863
H Acceptors9
H Donors1
TotalSurfaceArea382.77
Relative PSA0.32244
PolarSurfaceArea154.15
Druglikeness6.0882
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms10
Symmetricatoms2
Amides2
Amines1
Aromatic Amines1
BasicNitrogens1
AcidicOxygens1
StereoCon

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