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PUBCHEM-ZINC05458692

 MMsINC code: MMs03275838
Type: Neutral
Formula: C8H13NO5
SMILES:   O(C(=O)CNC(=O)C)CC(OCC)=O
InChI:   InChI=1/C8H13NO5/c1-3-13-8(12)5-14-7(11)4-9-6(2)10/h3-5H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=25.2238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.194 g/mol  logS: -0.91402  SlogP: -0.7712  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0155189  Sterimol/B1: 2.3759  Sterimol/B2: 2.51227  Sterimol/B3: 2.69073
  Sterimol/B4: 3.82733  Sterimol/L: 16.8094 
 
 Surface and Volume Properties
  Accessible surface: 442.41  Positive charged surface: 302.193  Negative charged surface: 140.216  Volume: 186.625
  Hydrophobic surface: 270.352  Hydrophilic surface: 172.058
 
 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.