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PUBCHEM-ZINC06067180

 MMsINC code: MMs03520114
Type: Neutral
Formula: C10H19NO5
SMILES:   OC(CC(=O)NCCCC(O)=O)(CCO)C
InChI:   InChI=1/C10H19NO5/c1-10(16,4-6-12)7-8(13)11-5-2-3-9(14)15/h12,16H,2-7H2,1H3,(H,11,13)(H,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=15.1886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: 0.15154  SlogP: -0.5091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441475  Sterimol/B1: 2.45717  Sterimol/B2: 2.94842  Sterimol/B3: 3.56052
  Sterimol/B4: 5.91127  Sterimol/L: 15.6594 
 
 Surface and Volume Properties
  Accessible surface: 472.106  Positive charged surface: 343.046  Negative charged surface: 129.06  Volume: 221.125
  Hydrophobic surface: 240.422  Hydrophilic surface: 231.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03520115
PUBCHEM-ZINC06067180