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MMsINC code: MMs00845310

Type: Ionized
Formula: C₁₄H₈O₄-2

SMILES:

O=C([O-])c1ccc(cc1-c1ccccc1)C(=O)[O-]

InChI:

InChI=1/C14H10O4/c15-13(16)10-6-7-11(14(17)18)12(8-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9436 kcal/mol

Physical Properties
Molecular Weight: 240.214 g/mol	logS: -4.27096	SlogP: 0.0806	Reactive groups: 0

Topological Properties
Globularity: 0.0939043	Sterimol/B1: 3.0938	Sterimol/B2: 3.5783	Sterimol/B3: 4.28071
Sterimol/B4: 6.03066	Sterimol/L: 13.0414

Surface and Volume Properties
Accessible surface: 433.89	Positive charged surface: 175.628	Negative charged surface: 256.199	Volume: 217.375
Hydrophobic surface: 271.922	Hydrophilic surface: 161.968

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

search links for this molecule:

Parent related molecule:

MMs00845309
CHEMDIV-ZINC00240968