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MMsINC code: MMs03541236

Type: Ionized
Formula: C₁₆H₁₂NO₅-

SMILES:

Oc1ccccc1C(=O)NC(=O)Cc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C16H13NO5/c18-13-4-2-1-3-12(13)15(20)17-14(19)9-10-5-7-11(8-6-10)16(21)22/h1-8,18H,9H2,(H,21,22)(H,17,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.439 kcal/mol

Physical Properties
Molecular Weight: 298.274 g/mol	logS: -3.61559	SlogP: 0.25477	Reactive groups: 0

Topological Properties
Globularity: 0.0971561	Sterimol/B1: 2.72849	Sterimol/B2: 3.50383	Sterimol/B3: 3.9107
Sterimol/B4: 7.85706	Sterimol/L: 13.1837

Surface and Volume Properties
Accessible surface: 506.966	Positive charged surface: 248.32	Negative charged surface: 258.645	Volume: 268.125
Hydrophobic surface: 307.23	Hydrophilic surface: 199.736

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Parent related molecule:

MMs03541235
PUBCHEM-ZINC06095180