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NCID-ZINC01719848

 MMsINC code: MMs02344900
Type: Neutral
Formula: C9H15NO5
SMILES:   O(C(=O)CNC(=O)CCC(OC)=O)CC
InChI:   InChI=1/C9H15NO5/c1-3-15-9(13)6-10-7(11)4-5-8(12)14-2/h3-6H2,1-2H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=16.9298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.221 g/mol  logS: -0.6705  SlogP: -0.3811  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0152234  Sterimol/B1: 2.37519  Sterimol/B2: 2.37557  Sterimol/B3: 3.24572
  Sterimol/B4: 3.41675  Sterimol/L: 18.0957 
 
 Surface and Volume Properties
  Accessible surface: 468.555  Positive charged surface: 355.562  Negative charged surface: 112.993  Volume: 205.625
  Hydrophobic surface: 306.688  Hydrophilic surface: 161.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.