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MMsINC code: MMs01754555

Type: Ionized
Formula: C₁₉H₁₄NO₄-

SMILES:

O(CC(=O)Nc1ccccc1C(=O)[O-])c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H15NO4/c21-18(20-17-8-4-3-7-16(17)19(22)23)12-24-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3623 kcal/mol

Physical Properties
Molecular Weight: 320.324 g/mol	logS: -5.53942	SlogP: 2.2208	Reactive groups: 0

Topological Properties
Globularity: 0.00182321	Sterimol/B1: 2.38286	Sterimol/B2: 2.38983	Sterimol/B3: 4.56147
Sterimol/B4: 4.76398	Sterimol/L: 19.0212

Surface and Volume Properties
Accessible surface: 568.901	Positive charged surface: 284.119	Negative charged surface: 275.149	Volume: 301
Hydrophobic surface: 446.537	Hydrophilic surface: 122.364

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Parent related molecule:

MMs01754554
IBS-ZINC00552618