MMsINC Database Search


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MMsINC code: MMs02273643

Type: Neutral
Formula: C₁₂H₁₀F₆O₂

SMILES:

FC1(F)C(O)(CC(O)c2ccccc2)C(F)(F)C1(F)F

InChI:

InChI=1/C12H10F6O2/c13-10(14)9(20,11(15,16)12(10,17)18)6-8(19)7-4-2-1-3-5-7/h1-5,8,19-20H,6H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4183 kcal/mol

Physical Properties
Molecular Weight: 300.198 g/mol	logS: -3.41399	SlogP: 4.1159	Reactive groups: 0

Topological Properties
Globularity: 0.112387	Sterimol/B1: 3.36594	Sterimol/B2: 3.53477	Sterimol/B3: 3.72844
Sterimol/B4: 3.91019	Sterimol/L: 13.1947

Surface and Volume Properties
Accessible surface: 437.128	Positive charged surface: 152.415	Negative charged surface: 284.713	Volume: 218.75
Hydrophobic surface: 203.097	Hydrophilic surface: 234.031

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.