MMsINC Database Search


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MMsINC code: MMs01939193

Type: Neutral
Formula: C₁₃H₁₅FN₂O₂

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)NCCCOC

InChI:

InChI=1/C13H15FN2O2/c1-18-6-2-5-15-13(17)12-8-9-7-10(14)3-4-11(9)16-12/h3-4,7-8,16H,2,5-6H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.1053 kcal/mol

Physical Properties
Molecular Weight: 250.273 g/mol	logS: -2.61322	SlogP: 2.0733	Reactive groups: 0

Topological Properties
Globularity: 0.00974922	Sterimol/B1: 2.37457	Sterimol/B2: 2.37597	Sterimol/B3: 3.54194
Sterimol/B4: 4.8139	Sterimol/L: 17.8768

Surface and Volume Properties
Accessible surface: 497.927	Positive charged surface: 327.945	Negative charged surface: 165.167	Volume: 237.375
Hydrophobic surface: 416.087	Hydrophilic surface: 81.84

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.