MMsINC Database Search


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MMsINC code: MMs00611554

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C19H19FN2O2/c1-14(23)15-6-8-16(9-7-15)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.43 kcal/mol

Physical Properties
Molecular Weight: 326.371 g/mol	logS: -3.90286	SlogP: 2.9907	Reactive groups: 0

Topological Properties
Globularity: 0.0900198	Sterimol/B1: 2.54052	Sterimol/B2: 3.4906	Sterimol/B3: 4.24244
Sterimol/B4: 6.346	Sterimol/L: 17.07

Surface and Volume Properties
Accessible surface: 575.374	Positive charged surface: 342.98	Negative charged surface: 232.393	Volume: 311
Hydrophobic surface: 489.921	Hydrophilic surface: 85.453

Pharmacophoric Properties
Hydrogen bond donors: 0	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.