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MMsINC code: MMs02848433

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

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

InChI:

InChI=1/C15H24N2O3/c1-11(2)16-9-14(19)10-20-15-6-4-13(5-7-15)8-17-12(3)18/h4-7,11,14,16,19H,8-10H2,1-3H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.3806 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -1.80757	SlogP: 1.3268	Reactive groups: 0

Topological Properties
Globularity: 0.0306867	Sterimol/B1: 3.12591	Sterimol/B2: 3.49545	Sterimol/B3: 3.98056
Sterimol/B4: 4.33274	Sterimol/L: 19.7889

Surface and Volume Properties
Accessible surface: 594.258	Positive charged surface: 409.432	Negative charged surface: 184.826	Volume: 288.5
Hydrophobic surface: 432.131	Hydrophilic surface: 162.127

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

MMs02848434
PUBCHEM-ZINC02009811