MMsINC Database Search


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MMsINC code: MMs01341707

Type: Ionized
Formula: C₁₅H₉O₄-

SMILES:

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

InChI:

InChI=1/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5838 kcal/mol

Physical Properties
Molecular Weight: 253.233 g/mol	logS: -4.01889	SlogP: 1.1157	Reactive groups: 1

Topological Properties
Globularity: 0.0904612	Sterimol/B1: 2.19372	Sterimol/B2: 3.81405	Sterimol/B3: 3.83767
Sterimol/B4: 5.10839	Sterimol/L: 14.7228

Surface and Volume Properties
Accessible surface: 460.586	Positive charged surface: 193.877	Negative charged surface: 266.709	Volume: 231.375
Hydrophobic surface: 310.082	Hydrophilic surface: 150.504

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs01341706
ENAMINE-ZINC03269660