MMsINC Database Search


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MMsINC code: MMs01085328

Type: Neutral
Formula: C₁₁H₇F₇O₂

SMILES:

Fc1ccc(cc1)COC(=O)C(C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C11H7F7O2/c12-7-3-1-6(2-4-7)5-20-9(19)8(10(13,14)15)11(16,17)18/h1-4,8H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-11.2555 kcal/mol

Physical Properties
Molecular Weight: 304.161 g/mol	logS: -3.98405	SlogP: 4.7159	Reactive groups: 1

Topological Properties
Globularity: 0.091637	Sterimol/B1: 2.57725	Sterimol/B2: 2.79702	Sterimol/B3: 3.88483
Sterimol/B4: 4.45523	Sterimol/L: 13.8582

Surface and Volume Properties
Accessible surface: 446.639	Positive charged surface: 153.815	Negative charged surface: 292.823	Volume: 210.875
Hydrophobic surface: 238.334	Hydrophilic surface: 208.305

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.