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MMsINC code: MMs03543786

Type: Ionized
Formula: C₁₇H₁₁NO₅-2

SMILES:

O=C([O-])c1cc(cc(NC(=O)\C=C/c2ccccc2)c1)C(=O)[O-]

InChI:

InChI=1/C17H13NO5/c19-15(7-6-11-4-2-1-3-5-11)18-14-9-12(16(20)21)8-13(10-14)17(22)23/h1-10H,(H,18,19)(H,20,21)(H,22,23)/p-2/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8389 kcal/mol

Physical Properties
Molecular Weight: 309.277 g/mol	logS: -4.32039	SlogP: 0.0655	Reactive groups: 0

Topological Properties
Globularity: 0.0710329	Sterimol/B1: 3.05156	Sterimol/B2: 3.81955	Sterimol/B3: 4.05199
Sterimol/B4: 5.99441	Sterimol/L: 15.9543

Surface and Volume Properties
Accessible surface: 544.807	Positive charged surface: 238.189	Negative charged surface: 306.618	Volume: 279.875
Hydrophobic surface: 328.699	Hydrophilic surface: 216.108

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs03543785
PUBCHEM-ZINC06103130