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1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid

Formula:C13H14N5O8FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid is not a drug-like molecule.
MolName1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
MolecularFormulaC13H14N5O8FS2
SmilesNc1nc(/C(/C(N[C@@H]([C@H](CF)N2S(O)(=O)=O)C2=O)=O)=N\OC2(CC2)C(O)=O)cs1
InChIInChI=1S/C13H14FN5O8S2/c14-3-6-8(10(21)19(6)29(24,25)26)17-9(20)7(5-4-28-12(15)16-5)18-27-13(1-2-13)11(22)23/h4,6,8H,1-3H2,(H2,15,16)(H,17,20)(H,22,23)(H,24,25,26)/t6-,8-/m1/s1
InChIKVOGCYJSPKJJBEE-HTRCEHHLSA-N
TotalMolweight451.411
Molweight451.411
MonoisotopicMass451.026783
CLogP-3.2057
CLogS-1.611
H Acceptors13
H Donors4
TotalSurfaceArea281.78
Relative PSA0.62822
PolarSurfaceArea238.2
Druglikeness7.3159
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms16
Electronegative Atoms16
StereoCenters2
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms10
Symmetricatoms2
Amides2
Aromatic Nitrogens1
BasicNitrogens1
AcidicOxygens2
StereoConthis enantiomer

Request More Details | 1-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3S)-2-(fluoromethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid


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