MMsINC Database Search


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MMsINC code: MMs00715298

Type: Neutral
Formula: C₁₁H₁₀ClF₄NO

SMILES:

ClC(F)(C(=O)Nc1ccccc1CC)C(F)(F)F

InChI:

InChI=1/C11H10ClF4NO/c1-2-7-5-3-4-6-8(7)17-9(18)10(12,13)11(14,15)16/h3-6H,2H2,1H3,(H,17,18)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.629 kcal/mol

Physical Properties
Molecular Weight: 283.652 g/mol	logS: -4.49058	SlogP: 4.49417	Reactive groups: 1

Topological Properties
Globularity: 0.0743129	Sterimol/B1: 2.5025	Sterimol/B2: 2.54767	Sterimol/B3: 3.58977
Sterimol/B4: 7.51736	Sterimol/L: 12.2453

Surface and Volume Properties
Accessible surface: 443.103	Positive charged surface: 160.436	Negative charged surface: 282.667	Volume: 220
Hydrophobic surface: 228.809	Hydrophilic surface: 214.294

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.