MMsINC Database Search


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MMsINC code: MMs03177533

Type: Neutral
Formula: C₁₀H₁₀F₃NO

SMILES:

FC(F)(F)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C10H10F3NO/c1-7-2-4-8(5-3-7)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5188 kcal/mol

Physical Properties
Molecular Weight: 217.19 g/mol	logS: -3.08792	SlogP: 2.85982	Reactive groups: 0

Topological Properties
Globularity: 0.0957052	Sterimol/B1: 2.65577	Sterimol/B2: 3.61561	Sterimol/B3: 3.62154
Sterimol/B4: 3.88061	Sterimol/L: 13.6164

Surface and Volume Properties
Accessible surface: 416.503	Positive charged surface: 186.89	Negative charged surface: 229.613	Volume: 184.25
Hydrophobic surface: 248.293	Hydrophilic surface: 168.21

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.