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SIAL-ZINC03075315

 MMsINC code: MMs03914893
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)CCN(CC(OCC)=O)C)CC
InChI:   InChI=1/C10H19NO4/c1-4-14-9(12)6-7-11(3)8-10(13)15-5-2/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.9652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -0.84111  SlogP: 0.4345  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0316299  Sterimol/B1: 2.57152  Sterimol/B2: 3.27413  Sterimol/B3: 3.61213
  Sterimol/B4: 3.74526  Sterimol/L: 18.0809 
 
 Surface and Volume Properties
  Accessible surface: 489.653  Positive charged surface: 382.786  Negative charged surface: 106.867  Volume: 221.125
  Hydrophobic surface: 367.593  Hydrophilic surface: 122.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.