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NCID-ZINC01720189

 MMsINC code: MMs02345162
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(=O)CCN(CC(OCC)=O)C=O)CC
InChI:   InChI=1/C10H17NO5/c1-3-15-9(13)5-6-11(8-12)7-10(14)16-4-2/h8H,3-7H2,1-2H3

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Potential Energy
Epot(MMFF94)=19.9622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.90608  SlogP: -0.0389  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0455535  Sterimol/B1: 2.64379  Sterimol/B2: 2.95926  Sterimol/B3: 3.69683
  Sterimol/B4: 6.15178  Sterimol/L: 16.7084 
 
 Surface and Volume Properties
  Accessible surface: 497.001  Positive charged surface: 358.072  Negative charged surface: 138.929  Volume: 224.375
  Hydrophobic surface: 316.581  Hydrophilic surface: 180.42
 
 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.