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NCID-ZINC01720469

 MMsINC code: MMs02345481
Type: Neutral
Formula: C9H13NO4
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(=O)C)C
InChI:   InChI=1/C9H13NO4/c1-6(11)8(12)10-5-3-4-7(10)9(13)14-2/h7H,3-5H2,1-2H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=53.9049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.206 g/mol  logS: -0.95638  SlogP: -0.2606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922449  Sterimol/B1: 2.67943  Sterimol/B2: 3.13225  Sterimol/B3: 3.13695
  Sterimol/B4: 6.7528  Sterimol/L: 12.1548 
 
 Surface and Volume Properties
  Accessible surface: 398.912  Positive charged surface: 290.199  Negative charged surface: 108.712  Volume: 185.25
  Hydrophobic surface: 314.101  Hydrophilic surface: 84.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.