MMsINC Database Search


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MMsINC code: MMs00738385

Type: Neutral
Formula: C₁₁H₁₀F₅NO

SMILES:

FC(F)(C(=O)NCCc1ccccc1)C(F)(F)F

InChI:

InChI=1/C11H10F5NO/c12-10(13,11(14,15)16)9(18)17-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6557 kcal/mol

Physical Properties
Molecular Weight: 267.197 g/mol	logS: -3.37881	SlogP: 3.38267	Reactive groups: 1

Topological Properties
Globularity: 0.0654825	Sterimol/B1: 2.8141	Sterimol/B2: 3.56934	Sterimol/B3: 3.85224
Sterimol/B4: 3.87646	Sterimol/L: 15.0306

Surface and Volume Properties
Accessible surface: 450.788	Positive charged surface: 177.702	Negative charged surface: 273.086	Volume: 208.5
Hydrophobic surface: 249.095	Hydrophilic surface: 201.693

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.