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MMsINC code: MMs02036157

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

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

InChI:

InChI=1/C15H24N2O3/c1-11(18)17-12-5-7-14(8-6-12)20-10-13(19)9-16-15(2,3)4/h5-8,13,16,19H,9-10H2,1-4H3,(H,17,18)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5496 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -2.19074	SlogP: 1.7728	Reactive groups: 0

Topological Properties
Globularity: 0.0312221	Sterimol/B1: 3.0439	Sterimol/B2: 3.21599	Sterimol/B3: 3.95797
Sterimol/B4: 4.71816	Sterimol/L: 19.3573

Surface and Volume Properties
Accessible surface: 571.499	Positive charged surface: 381.517	Negative charged surface: 189.982	Volume: 290
Hydrophobic surface: 405.33	Hydrophilic surface: 166.169

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02036158
IFLAB-ZINC04280291