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MMsINC code: MMs02336813

Type: Ionized
Formula: C₁₆H₁₂O₄-2

SMILES:

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

InChI:

InChI=1/C16H14O4/c17-15(18)14(16(19)20)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.351 kcal/mol

Physical Properties
Molecular Weight: 268.268 g/mol	logS: -3.33143	SlogP: -0.0655	Reactive groups: 0

Topological Properties
Globularity: 0.280223	Sterimol/B1: 2.35613	Sterimol/B2: 3.69498	Sterimol/B3: 3.98113
Sterimol/B4: 7.22174	Sterimol/L: 11.7797

Surface and Volume Properties
Accessible surface: 473.109	Positive charged surface: 208.726	Negative charged surface: 264.383	Volume: 252.875
Hydrophobic surface: 331.579	Hydrophilic surface: 141.53

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:

MMs02336812
NCID-ZINC01709157