MMsINC Database Search


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MMsINC code: MMs02363210

Type: Neutral
Formula: C₁₆H₂₁F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)N(CCO)C1CCCCC1

InChI:

InChI=1/C16H21F3N2O2/c17-16(18,19)13-8-4-5-9-14(13)20-15(23)21(10-11-22)12-6-2-1-3-7-12/h4-5,8-9,12,22H,1-3,6-7,10-11H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9342 kcal/mol

Physical Properties
Molecular Weight: 330.35 g/mol	logS: -3.64735	SlogP: 4.1758	Reactive groups: 0

Topological Properties
Globularity: 0.141676	Sterimol/B1: 2.69436	Sterimol/B2: 3.14156	Sterimol/B3: 4.5251
Sterimol/B4: 7.61411	Sterimol/L: 13.9429

Surface and Volume Properties
Accessible surface: 533.6	Positive charged surface: 331.533	Negative charged surface: 202.067	Volume: 294.25
Hydrophobic surface: 398.964	Hydrophilic surface: 134.636

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.