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MMsINC code: MMs02356200

Type: Ionized
Formula: C₁₅H₁₀O₄-2

SMILES:

O=C([O-])c1cc(ccc1)Cc1cc(ccc1)C(=O)[O-]

InChI:

InChI=1/C15H12O4/c16-14(17)12-5-1-3-10(8-12)7-11-4-2-6-13(9-11)15(18)19/h1-6,8-9H,7H2,(H,16,17)(H,18,19)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1951 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.96096	SlogP: 0.00437	Reactive groups: 0

Topological Properties
Globularity: 0.179356	Sterimol/B1: 2.58143	Sterimol/B2: 3.78832	Sterimol/B3: 4.10398
Sterimol/B4: 6.48046	Sterimol/L: 12.7465

Surface and Volume Properties
Accessible surface: 462.765	Positive charged surface: 202.361	Negative charged surface: 260.404	Volume: 233.5
Hydrophobic surface: 283.305	Hydrophilic surface: 179.46

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:

MMs02356199
NCID-ZINC01733828