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ENAMINE-ZINC02028393

 MMsINC code: MMs01247615
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)C(NC(=O)C)CC(C)C)CC
InChI:   InChI=1/C10H19NO3/c1-5-14-10(13)9(6-7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.9184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.06527  SlogP: 1.1003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138163  Sterimol/B1: 3.45304  Sterimol/B2: 3.47854  Sterimol/B3: 3.77683
  Sterimol/B4: 6.23869  Sterimol/L: 12.3097 
 
 Surface and Volume Properties
  Accessible surface: 447.061  Positive charged surface: 319.841  Negative charged surface: 127.22  Volume: 210
  Hydrophobic surface: 319.418  Hydrophilic surface: 127.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.