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NCID-ZINC01577517

 MMsINC code: MMs02235737
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)CCN(CCC(OCC)=O)C)CC
InChI:   InChI=1/C11H21NO4/c1-4-15-10(13)6-8-12(3)9-7-11(14)16-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.72303  SlogP: 0.8246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0262291  Sterimol/B1: 2.57265  Sterimol/B2: 3.12119  Sterimol/B3: 3.60887
  Sterimol/B4: 3.97495  Sterimol/L: 19.3052 
 
 Surface and Volume Properties
  Accessible surface: 520.761  Positive charged surface: 406.065  Negative charged surface: 114.696  Volume: 240
  Hydrophobic surface: 391.759  Hydrophilic surface: 129.002
 
 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


MMs02235738
NCID-ZINC01577517