MMsINC Database Search


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MMsINC code: MMs03003467

Type: Neutral
Formula: C₁₀H₁₁F₂NO

SMILES:

FC(F)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C10H11F2NO/c1-7(13-10(14)9(11)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,13,14)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.5388 kcal/mol

Physical Properties
Molecular Weight: 199.2 g/mol	logS: -2.38633	SlogP: 2.6443	Reactive groups: 0

Topological Properties
Globularity: 0.142651	Sterimol/B1: 2.28004	Sterimol/B2: 2.33324	Sterimol/B3: 4.28301
Sterimol/B4: 5.49441	Sterimol/L: 12.3892

Surface and Volume Properties
Accessible surface: 394.174	Positive charged surface: 194.451	Negative charged surface: 199.723	Volume: 180.875
Hydrophobic surface: 252.721	Hydrophilic surface: 141.453

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.