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PUBCHEM-ZINC04134481

 MMsINC code: MMs03093569
Type: Neutral
Formula: C10H16N2O4
SMILES:   O(C)C1C=C(CC(N)C1NC(=O)C)C(O)=O
InChI:   InChI=1/C10H16N2O4/c1-5(13)12-9-7(11)3-6(10(14)15)4-8(9)16-2/h4,7-9H,3,11H2,1-2H3,(H,12,13)(H,14,15)/t7-,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=33.7784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.14648  SlogP: -0.7519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07347  Sterimol/B1: 3.17013  Sterimol/B2: 3.20922  Sterimol/B3: 4.24104
  Sterimol/B4: 5.92755  Sterimol/L: 13.2599 
 
 Surface and Volume Properties
  Accessible surface: 435.101  Positive charged surface: 312.642  Negative charged surface: 122.459  Volume: 212.75
  Hydrophobic surface: 238.149  Hydrophilic surface: 196.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.