MMsINC Database Search


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MMsINC code: MMs01671651

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCC

InChI:

InChI=1/C17H17FN2O2/c1-2-11-19-17(22)14-5-3-4-6-15(14)20-16(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6769 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -4.32496	SlogP: 3.2178	Reactive groups: 0

Topological Properties
Globularity: 0.0310167	Sterimol/B1: 2.49914	Sterimol/B2: 2.62597	Sterimol/B3: 3.02696
Sterimol/B4: 9.43968	Sterimol/L: 15.785

Surface and Volume Properties
Accessible surface: 555.778	Positive charged surface: 325.857	Negative charged surface: 229.92	Volume: 287.5
Hydrophobic surface: 470.175	Hydrophilic surface: 85.603

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.