MMsINC Database Search


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MMsINC code: MMs02878891

Type: Neutral
Formula: C₁₁H₁₀F₆O

SMILES:

FC(F)(F)c1ccc(cc1C(O)CC)C(F)(F)F

InChI:

InChI=1/C11H10F6O/c1-2-9(18)7-5-6(10(12,13)14)3-4-8(7)11(15,16)17/h3-5,9,18H,2H2,1H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9051 kcal/mol

Physical Properties
Molecular Weight: 272.188 g/mol	logS: -3.79798	SlogP: 4.8861	Reactive groups: 0

Topological Properties
Globularity: 0.0928757	Sterimol/B1: 2.41791	Sterimol/B2: 3.20806	Sterimol/B3: 3.48562
Sterimol/B4: 6.13643	Sterimol/L: 11.5573

Surface and Volume Properties
Accessible surface: 407.797	Positive charged surface: 140.728	Negative charged surface: 267.069	Volume: 203.75
Hydrophobic surface: 166.979	Hydrophilic surface: 240.818

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