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MMsINC code: MMs02346158

Type: Ionized
Formula: C₁₆H₁₀O₄-2

SMILES:

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

InChI:

InChI=1/C16H12O4/c17-15(18)10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(19)20/h1-10H,(H,17,18)(H,19,20)/p-2/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6328 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.77678	SlogP: 0.4802	Reactive groups: 0

Topological Properties
Globularity: 0.260104	Sterimol/B1: 3.42413	Sterimol/B2: 3.55045	Sterimol/B3: 5.37851
Sterimol/B4: 8.15154	Sterimol/L: 11.6634

Surface and Volume Properties
Accessible surface: 477.253	Positive charged surface: 207.319	Negative charged surface: 269.659	Volume: 248
Hydrophobic surface: 299.012	Hydrophilic surface: 178.241

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

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Parent related molecule:

MMs02346157
NCID-ZINC01721298