MMsINC Database Search


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MMsINC code: MMs01703996

Type: Neutral
Formula: C₁₈H₂₃F₃N₂O₂

SMILES:

FC(F)(F)CNC(=O)c1ccccc1NC(=O)CCC1CCCCC1

InChI:

InChI=1/C18H23F3N2O2/c19-18(20,21)12-22-17(25)14-8-4-5-9-15(14)23-16(24)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5273 kcal/mol

Physical Properties
Molecular Weight: 356.388 g/mol	logS: -6.0145	SlogP: 4.6976	Reactive groups: 0

Topological Properties
Globularity: 0.0222385	Sterimol/B1: 2.73006	Sterimol/B2: 3.11156	Sterimol/B3: 3.27937
Sterimol/B4: 8.87184	Sterimol/L: 17.4471

Surface and Volume Properties
Accessible surface: 617.461	Positive charged surface: 370.538	Negative charged surface: 246.923	Volume: 324.125
Hydrophobic surface: 446.044	Hydrophilic surface: 171.417

Pharmacophoric Properties
Hydrogen bond donors: 2	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.