MMsINC Database Search


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MMsINC code: MMs01484853

Type: Neutral
Formula: C₂₀H₁₅FO₅

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCc2oc(cc2)C(OC)=O)cc1

InChI:

InChI=1/C20H15FO5/c1-24-20(23)18-11-10-17(26-18)12-25-16-8-4-14(5-9-16)19(22)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.182 kcal/mol

Physical Properties
Molecular Weight: 354.333 g/mol	logS: -5.85717	SlogP: 4.2817	Reactive groups: 0

Topological Properties
Globularity: 0.0500175	Sterimol/B1: 2.26418	Sterimol/B2: 3.84296	Sterimol/B3: 4.89851
Sterimol/B4: 6.09201	Sterimol/L: 20.5174

Surface and Volume Properties
Accessible surface: 623.101	Positive charged surface: 349.797	Negative charged surface: 273.304	Volume: 318.125
Hydrophobic surface: 517.537	Hydrophilic surface: 105.564

Pharmacophoric Properties
Hydrogen bond donors: 0	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.