MMsINC Database Search


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MMsINC code: MMs00632464

Type: Neutral
Formula: C₁₇H₁₇FN₂O

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(N2CCCC2)cc1

InChI:

InChI=1/C17H17FN2O/c18-14-5-3-13(4-6-14)17(21)19-15-7-9-16(10-8-15)20-11-1-2-12-20/h3-10H,1-2,11-12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.83 kcal/mol

Physical Properties
Molecular Weight: 284.334 g/mol	logS: -4.12964	SlogP: 3.6782	Reactive groups: 0

Topological Properties
Globularity: 0.0227551	Sterimol/B1: 2.43126	Sterimol/B2: 2.57707	Sterimol/B3: 3.81322
Sterimol/B4: 5.08793	Sterimol/L: 17.589

Surface and Volume Properties
Accessible surface: 521.429	Positive charged surface: 317.448	Negative charged surface: 203.981	Volume: 274.125
Hydrophobic surface: 468.323	Hydrophilic surface: 53.106

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