MMsINC Database Search


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MMsINC code: MMs01378438

Type: Neutral
Formula: C₁₇H₂₃F₃N₂O₂

SMILES:

FC(F)(F)c1cc(ccc1)CC(=O)N(CC(=O)NC(C)(C)C)CC

InChI:

InChI=1/C17H23F3N2O2/c1-5-22(11-14(23)21-16(2,3)4)15(24)10-12-7-6-8-13(9-12)17(18,19)20/h6-9H,5,10-11H2,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7542 kcal/mol

Physical Properties
Molecular Weight: 344.377 g/mol	logS: -4.02445	SlogP: 3.32257	Reactive groups: 0

Topological Properties
Globularity: 0.0921414	Sterimol/B1: 2.35569	Sterimol/B2: 3.59315	Sterimol/B3: 4.28131
Sterimol/B4: 8.48118	Sterimol/L: 16.3044

Surface and Volume Properties
Accessible surface: 597.742	Positive charged surface: 341.681	Negative charged surface: 256.062	Volume: 320.625
Hydrophobic surface: 372.868	Hydrophilic surface: 224.874

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.