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MMsINC code: MMs02305839

Type: Ionized
Formula: C₁₅H₁₀O₄-2

SMILES:

O=C([O-])c1ccccc1Cc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C15H12O4/c16-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(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)=63.6274 kcal/mol

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

Topological Properties
Globularity: 0.153445	Sterimol/B1: 2.563	Sterimol/B2: 3.94316	Sterimol/B3: 3.95648
Sterimol/B4: 6.71683	Sterimol/L: 13.6851

Surface and Volume Properties
Accessible surface: 457.212	Positive charged surface: 196.719	Negative charged surface: 260.493	Volume: 235.75
Hydrophobic surface: 289.336	Hydrophilic surface: 167.876

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:

MMs02305838
NCID-ZINC01669772