MMsINC Database Search


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MMsINC code: MMs03639833

Type: Neutral
Formula: C₁₂H₁₄F₃NO

SMILES:

FC(F)(F)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6041 kcal/mol

Physical Properties
Molecular Weight: 245.244 g/mol	logS: -3.20445	SlogP: 3.10607	Reactive groups: 0

Topological Properties
Globularity: 0.0911984	Sterimol/B1: 2.43852	Sterimol/B2: 2.51738	Sterimol/B3: 4.11446
Sterimol/B4: 6.43145	Sterimol/L: 13.9832

Surface and Volume Properties
Accessible surface: 458.749	Positive charged surface: 217.115	Negative charged surface: 241.634	Volume: 219.125
Hydrophobic surface: 290.851	Hydrophilic surface: 167.898

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.