MMsINC Database Search


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MMsINC code: MMs03365348

Type: Neutral
Formula: C₁₀H₁₁F₃O₂

SMILES:

FC(F)(F)c1cc(ccc1)C(O)C(O)C

InChI:

InChI=1/C10H11F3O2/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,14-15H,1H3/t6-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6363 kcal/mol

Physical Properties
Molecular Weight: 220.19 g/mol	logS: -2.33712	SlogP: 2.5266	Reactive groups: 0

Topological Properties
Globularity: 0.0842777	Sterimol/B1: 2.81502	Sterimol/B2: 3.33488	Sterimol/B3: 3.37013
Sterimol/B4: 5.03173	Sterimol/L: 11.7691

Surface and Volume Properties
Accessible surface: 388.534	Positive charged surface: 175.873	Negative charged surface: 212.661	Volume: 184.375
Hydrophobic surface: 191.123	Hydrophilic surface: 197.411

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

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.