MMsINC Database Search


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MMsINC code: MMs00606073

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

Oc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1

InChI:

InChI=1/C17H20N2O2/c1-3-19(4-2)14-11-9-13(10-12-14)18-17(21)15-7-5-6-8-16(15)20/h5-12,20H,3-4H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1019 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.57475	SlogP: 3.4907	Reactive groups: 0

Topological Properties
Globularity: 0.0258538	Sterimol/B1: 2.38268	Sterimol/B2: 2.49298	Sterimol/B3: 3.34348
Sterimol/B4: 6.55961	Sterimol/L: 16.5474

Surface and Volume Properties
Accessible surface: 545.575	Positive charged surface: 351.235	Negative charged surface: 194.34	Volume: 288.75
Hydrophobic surface: 411.157	Hydrophilic surface: 134.418

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.