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PUBCHEM-ZINC06224198

 MMsINC code: MMs03619229
Type: Neutral
Formula: C12H22N2O4
SMILES:   O1CCN(CC1)C(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C12H22N2O4/c1-4-9(2)10(11(15)17-3)13-12(16)14-5-7-18-8-6-14/h9-10H,4-8H2,1-3H3,(H,13,16)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=50.1999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.318 g/mol  logS: -1.44396  SlogP: 0.6159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106464  Sterimol/B1: 2.27288  Sterimol/B2: 2.64539  Sterimol/B3: 4.2706
  Sterimol/B4: 7.40419  Sterimol/L: 13.7452 
 
 Surface and Volume Properties
  Accessible surface: 495.454  Positive charged surface: 397.423  Negative charged surface: 98.0303  Volume: 251.875
  Hydrophobic surface: 389.595  Hydrophilic surface: 105.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.