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MMsINC code: MMs02036125

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

O(CC(O)CN(CC)CC)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H24N2O3/c1-4-17(5-2)10-14(19)11-20-15-8-6-13(7-9-15)16-12(3)18/h6-9,14,19H,4-5,10-11H2,1-3H3,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6036 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -1.99448	SlogP: 1.7265	Reactive groups: 0

Topological Properties
Globularity: 0.0454748	Sterimol/B1: 2.87517	Sterimol/B2: 3.25556	Sterimol/B3: 4.28427
Sterimol/B4: 4.31301	Sterimol/L: 19.1243

Surface and Volume Properties
Accessible surface: 572.253	Positive charged surface: 395.579	Negative charged surface: 176.673	Volume: 288.375
Hydrophobic surface: 429.843	Hydrophilic surface: 142.41

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02036126
IFLAB-ZINC04280271