MMsINC Database Search


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MMsINC code: MMs02848342

Type: Neutral
Formula: C₁₁H₁₀F₆O₂

SMILES:

FC(F)(F)C(O)(CC(O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C11H10F6O2/c12-10(13,14)9(19,11(15,16)17)6-8(18)7-4-2-1-3-5-7/h1-5,8,18-19H,6H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6427 kcal/mol

Physical Properties
Molecular Weight: 288.187 g/mol	logS: -3.32111	SlogP: 3.9011	Reactive groups: 0

Topological Properties
Globularity: 0.135402	Sterimol/B1: 3.29259	Sterimol/B2: 3.61081	Sterimol/B3: 3.70522
Sterimol/B4: 3.98133	Sterimol/L: 12.6901

Surface and Volume Properties
Accessible surface: 411.124	Positive charged surface: 142.813	Negative charged surface: 268.311	Volume: 208.375
Hydrophobic surface: 192.17	Hydrophilic surface: 218.954

Pharmacophoric Properties
Hydrogen bond donors: 2	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.