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MMsINC code: MMs03296724

Type: Ionized
Formula: C₁₄H₁₃N₂O₅-

SMILES:

O=C1NC(C(C(OC)=O)=C(N1)C)c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H14N2O5/c1-7-10(13(19)21-2)11(16-14(20)15-7)8-3-5-9(6-4-8)12(17)18/h3-6,11H,1-2H3,(H,17,18)(H2,15,16,20)/p-1/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.35526 kcal/mol

Physical Properties
Molecular Weight: 289.267 g/mol	logS: -2.74741	SlogP: -0.0535	Reactive groups: 0

Topological Properties
Globularity: 0.173914	Sterimol/B1: 2.73943	Sterimol/B2: 4.78678	Sterimol/B3: 5.28344
Sterimol/B4: 5.65949	Sterimol/L: 13.9402

Surface and Volume Properties
Accessible surface: 495.447	Positive charged surface: 286.278	Negative charged surface: 209.17	Volume: 255.5
Hydrophobic surface: 281.036	Hydrophilic surface: 214.411

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs03296723
PUBCHEM-ZINC05523319