N-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide

Formula:C17H16N5O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide is a drug-like molecule.

MolNameN-[(4-fluorophenyl)methyl]-N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanediamide
MolecularFormulaC17H16N5O3F
SmilesO=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)NCc(cc1)ccc1F
InChIInChI=1S/C17H16FN5O3/c18-11-3-1-10(2-4-11)9-19-14(24)7-8-15(25)21-13-6-5-12-16(22-13)23-17(26)20-12/h1-6H,7-9H2,(H,19,24)(H3,20,21,22,23,25,26)
InChIKUTTVUJVDGUWMHR-UHFFFAOYSA-N
TotalMolweight357.344
Molweight357.344
MonoisotopicMass357.123718
CLogP1.062
CLogS-4.799
H Acceptors8
H Donors4
TotalSurfaceArea265
Relative PSA0.362
PolarSurfaceArea112.22
Druglikeness-0.79982
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides4
Aromatic Nitrogens1
StereoCon

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