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MMsINC code: MMs01390579

Type: Neutral
Formula: C₁₇H₂₄FN₃O₂

SMILES:

Fc1cc(NC(=O)CN(C(C(=O)N2CCCCC2)C)C)ccc1

InChI:

InChI=1/C17H24FN3O2/c1-13(17(23)21-9-4-3-5-10-21)20(2)12-16(22)19-15-8-6-7-14(18)11-15/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,19,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.447 kcal/mol

Physical Properties
Molecular Weight: 321.396 g/mol	logS: -2.92778	SlogP: 2.097	Reactive groups: 0

Topological Properties
Globularity: 0.0444327	Sterimol/B1: 2.33788	Sterimol/B2: 2.44841	Sterimol/B3: 5.0078
Sterimol/B4: 5.21436	Sterimol/L: 18.5051

Surface and Volume Properties
Accessible surface: 575.508	Positive charged surface: 400.575	Negative charged surface: 174.933	Volume: 311.625
Hydrophobic surface: 499.668	Hydrophilic surface: 75.84

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.