MMsINC Database Search


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MMsINC code: MMs01321025

Type: Neutral
Formula: C₁₅H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1cc(O)ccc1

InChI:

InChI=1/C15H11FO4/c16-12-6-4-10(5-7-12)14(18)9-20-15(19)11-2-1-3-13(17)8-11/h1-8,17H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7234 kcal/mol

Physical Properties
Molecular Weight: 274.247 g/mol	logS: -3.79889	SlogP: 2.571	Reactive groups: 0

Topological Properties
Globularity: 0.00389086	Sterimol/B1: 2.36355	Sterimol/B2: 2.38596	Sterimol/B3: 2.54949
Sterimol/B4: 5.5096	Sterimol/L: 16.9349

Surface and Volume Properties
Accessible surface: 500.44	Positive charged surface: 254.939	Negative charged surface: 245.501	Volume: 245.75
Hydrophobic surface: 376.198	Hydrophilic surface: 124.242

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.