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NCID-ZINC01767940

 MMsINC code: MMs02370361
Type: Neutral
Formula: C7H11NO4
SMILES:   O(C(=O)C1CC1NC(OC)=O)C
InChI:   InChI=1/C7H11NO4/c1-11-6(9)4-3-5(4)8-7(10)12-2/h4-5H,3H2,1-2H3,(H,8,10)/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=9.3789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.168 g/mol  logS: -0.35519  SlogP: -0.0961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731509  Sterimol/B1: 2.21518  Sterimol/B2: 2.63736  Sterimol/B3: 3.28268
  Sterimol/B4: 6.60312  Sterimol/L: 11.9712 
 
 Surface and Volume Properties
  Accessible surface: 385.058  Positive charged surface: 297.488  Negative charged surface: 87.5706  Volume: 162.375
  Hydrophobic surface: 268.468  Hydrophilic surface: 116.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.