MMsINC Database Search


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MMsINC code: MMs02123713

Type: Neutral
Formula: C₁₆H₁₅FO₂

SMILES:

Fc1ccc(cc1)COC1CCOc2c1cccc2

InChI:

InChI=1/C16H15FO2/c17-13-7-5-12(6-8-13)11-19-16-9-10-18-15-4-2-1-3-14(15)16/h1-8,16H,9-11H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4892 kcal/mol

Physical Properties
Molecular Weight: 258.292 g/mol	logS: -3.96495	SlogP: 4.228	Reactive groups: 0

Topological Properties
Globularity: 0.074888	Sterimol/B1: 2.53886	Sterimol/B2: 3.23338	Sterimol/B3: 3.53848
Sterimol/B4: 7.46266	Sterimol/L: 14.3866

Surface and Volume Properties
Accessible surface: 486.044	Positive charged surface: 287.001	Negative charged surface: 199.043	Volume: 249.625
Hydrophobic surface: 467.168	Hydrophilic surface: 18.876

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.