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PUBCHEM-ZINC05962816

 MMsINC code: MMs03463096
Type: Neutral
Formula: C15H28N2O4
SMILES:   OC1CCN(C1)C(=O)C(NC(OC(C)(C)C)=O)CC(C)C
InChI:   InChI=1/C15H28N2O4/c1-10(2)8-12(16-14(20)21-15(3,4)5)13(19)17-7-6-11(18)9-17/h10-12,18H,6-9H2,1-5H3,(H,16,20)/t11-,12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.399 g/mol  logS: -2.59563  SlogP: 1.519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106981  Sterimol/B1: 2.18406  Sterimol/B2: 3.49343  Sterimol/B3: 5.20223
  Sterimol/B4: 6.35883  Sterimol/L: 16.1844 
 
 Surface and Volume Properties
  Accessible surface: 561.475  Positive charged surface: 416.86  Negative charged surface: 144.615  Volume: 306.875
  Hydrophobic surface: 364.174  Hydrophilic surface: 197.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.