MMsINC Database Search


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MMsINC code: MMs02677046

Type: Ionized
Formula: C₁₅H₁₀FO₃-

SMILES:

Fc1ccc(cc1C)C(=O)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H11FO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4534 kcal/mol

Physical Properties
Molecular Weight: 257.24 g/mol	logS: -4.14299	SlogP: 1.72862	Reactive groups: 0

Topological Properties
Globularity: 0.116507	Sterimol/B1: 3.60861	Sterimol/B2: 3.73386	Sterimol/B3: 4.08565
Sterimol/B4: 4.97876	Sterimol/L: 13.5392

Surface and Volume Properties
Accessible surface: 448.81	Positive charged surface: 209.658	Negative charged surface: 239.152	Volume: 233.125
Hydrophobic surface: 351.974	Hydrophilic surface: 96.836

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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:

MMs02677045
PUBCHEM-ZINC00405796