2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetate

Formula:C15H13N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetate is a drug-like molecule.

MolName2-[[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]acetyl]amino]acetate
MolecularFormulaC15H13N2O7
Smiles[O-]C(CNC(CNC(CC(c(ccc(O)c1)c1O1)=CC1=O)=O)=O)=O
InChIInChI=1S/C15H14N2O7/c18-9-1-2-10-8(4-15(23)24-11(10)5-9)3-12(19)16-6-13(20)17-7-14(21)22/h1-2,4-5,18H,3,6-7H2,(H,16,19)(H,17,20)(H,21,22)/p-1
InChIKLKGMMRUCWGWBJJ-UHFFFAOYSA-M
TotalMolweight333.275
Molweight333.275
MonoisotopicMass333.072278
CLogP-3.5006
CLogS-1.082
H Acceptors9
H Donors3
TotalSurfaceArea243.55
Relative PSA0.46175
PolarSurfaceArea144.86
Druglikeness-1.3474
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Amides2
AcidicOxygens1
StereoCon

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