MMsINC Database Search


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MMsINC code: MMs01380736

Type: Neutral
Formula: C₁₀H₆F₆O₂

SMILES:

FC(C(F)(F)Oc1ccc(cc1)C=O)C(F)(F)F

InChI:

InChI=1/C10H6F6O2/c11-8(9(12,13)14)10(15,16)18-7-3-1-6(5-17)2-4-7/h1-5,8H/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1527 kcal/mol

Physical Properties
Molecular Weight: 272.144 g/mol	logS: -3.60735	SlogP: 4.6308	Reactive groups: 1

Topological Properties
Globularity: 0.0302175	Sterimol/B1: 2.61871	Sterimol/B2: 2.65856	Sterimol/B3: 2.92793
Sterimol/B4: 4.85534	Sterimol/L: 13.8384

Surface and Volume Properties
Accessible surface: 409.283	Positive charged surface: 150.986	Negative charged surface: 258.298	Volume: 188.375
Hydrophobic surface: 174.71	Hydrophilic surface: 234.573

Pharmacophoric Properties
Hydrogen bond donors: 0	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.