MMsINC Database Search


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MMsINC code: MMs01237862

Type: Neutral
Formula: C₁₈H₁₃FO₃

SMILES:

Fc1ccccc1COC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C18H13FO3/c19-16-8-4-3-7-14(16)11-22-18(21)15-9-12-5-1-2-6-13(12)10-17(15)20/h1-10,20H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.246 kcal/mol

Physical Properties
Molecular Weight: 296.297 g/mol	logS: -5.34542	SlogP: 4.3079	Reactive groups: 0

Topological Properties
Globularity: 0.00417057	Sterimol/B1: 2.28225	Sterimol/B2: 2.46724	Sterimol/B3: 2.54525
Sterimol/B4: 7.68445	Sterimol/L: 16.2686

Surface and Volume Properties
Accessible surface: 527.914	Positive charged surface: 267.105	Negative charged surface: 249.738	Volume: 274.625
Hydrophobic surface: 450.006	Hydrophilic surface: 77.908

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.