MMsINC Database Search


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MMsINC code: MMs01569946

Type: Neutral
Formula: C₁₅H₁₃FO₄

SMILES:

Fc1ccc(cc1)COC(=O)c1cc(OC)ccc1O

InChI:

InChI=1/C15H13FO4/c1-19-12-6-7-14(17)13(8-12)15(18)20-9-10-2-4-11(16)5-3-10/h2-8,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7686 kcal/mol

Physical Properties
Molecular Weight: 276.263 g/mol	logS: -3.51792	SlogP: 3.1633	Reactive groups: 0

Topological Properties
Globularity: 0.060463	Sterimol/B1: 2.57384	Sterimol/B2: 3.61457	Sterimol/B3: 3.69363
Sterimol/B4: 7.74222	Sterimol/L: 14.3089

Surface and Volume Properties
Accessible surface: 513.639	Positive charged surface: 313.67	Negative charged surface: 199.969	Volume: 250.75
Hydrophobic surface: 423.939	Hydrophilic surface: 89.7

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.