MMsINC Database Search


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MMsINC code: MMs00044744

Type: Neutral
Formula: C₁₁H₁₀F₆O

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1cc(ccc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.536 kcal/mol

Physical Properties
Molecular Weight: 272.188 g/mol	logS: -4.26972	SlogP: 4.76694	Reactive groups: 0

Topological Properties
Globularity: 0.16339	Sterimol/B1: 3.23711	Sterimol/B2: 3.51122	Sterimol/B3: 3.55197
Sterimol/B4: 5.62608	Sterimol/L: 10.7464

Surface and Volume Properties
Accessible surface: 399.557	Positive charged surface: 157.49	Negative charged surface: 242.067	Volume: 200.5
Hydrophobic surface: 217.643	Hydrophilic surface: 181.914

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.