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MMsINC code: MMs00935588

Type: Ionized
Formula: C₁₅H₁₃N₂O₄-

SMILES:

O(CC)c1ccc(NC(=O)c2cccnc2C(=O)[O-])cc1

InChI:

InChI=1/C15H14N2O4/c1-2-21-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(19)20/h3-9H,2H2,1H3,(H,17,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9102 kcal/mol

Physical Properties
Molecular Weight: 285.279 g/mol	logS: -2.85709	SlogP: 1.0961	Reactive groups: 0

Topological Properties
Globularity: 0.0129501	Sterimol/B1: 2.49197	Sterimol/B2: 3.22163	Sterimol/B3: 3.78097
Sterimol/B4: 4.97087	Sterimol/L: 17.6252

Surface and Volume Properties
Accessible surface: 519.308	Positive charged surface: 306.436	Negative charged surface: 212.873	Volume: 261.25
Hydrophobic surface: 374.559	Hydrophilic surface: 144.749

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 2	Basic groups: 0
Chiral centers: 0

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

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Parent related molecule:

MMs00935587
CHEMDIV-ZINC04437518