MMsINC Database Search


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MMsINC code: MMs02123717

Type: Neutral
Formula: C₁₈H₁₄F₆O₂

SMILES:

FC(F)(F)c1cc(cc(c1)C(F)(F)F)COC1CCOc2c1cccc2

InChI:

InChI=1/C18H14F6O2/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)10-26-16-5-6-25-15-4-2-1-3-14(15)16/h1-4,7-9,16H,5-6,10H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1289 kcal/mol

Physical Properties
Molecular Weight: 376.296 g/mol	logS: -5.78307	SlogP: 6.7495	Reactive groups: 0

Topological Properties
Globularity: 0.0886699	Sterimol/B1: 2.53454	Sterimol/B2: 3.19684	Sterimol/B3: 4.30022
Sterimol/B4: 7.36234	Sterimol/L: 14.3923

Surface and Volume Properties
Accessible surface: 568.856	Positive charged surface: 238.545	Negative charged surface: 330.311	Volume: 301.375
Hydrophobic surface: 345.542	Hydrophilic surface: 223.314

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.