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NCID-ZINC01698936

 MMsINC code: MMs02329166
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(=O)C(N)C(=O)CCC(OCC)=O)CC
InChI:   InChI=1/C10H17NO5/c1-3-15-8(13)6-5-7(12)9(11)10(14)16-4-2/h9H,3-6,11H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=37.8807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.84785  SlogP: -0.2108  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0478679  Sterimol/B1: 2.5995  Sterimol/B2: 3.42099  Sterimol/B3: 4.88875
  Sterimol/B4: 5.54606  Sterimol/L: 14.3679 
 
 Surface and Volume Properties
  Accessible surface: 488.331  Positive charged surface: 344.199  Negative charged surface: 144.132  Volume: 220.875
  Hydrophobic surface: 282.453  Hydrophilic surface: 205.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.