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PUBCHEM-ZINC02850923

 MMsINC code: MMs02938176
Type: Neutral
Formula: C12H22N2O4
SMILES:   O1CCCC1CNC(=O)C(=O)NCCCCCO
InChI:   InChI=1/C12H22N2O4/c15-7-3-1-2-6-13-11(16)12(17)14-9-10-5-4-8-18-10/h10,15H,1-9H2,(H,13,16)(H,14,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=39.3653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.318 g/mol  logS: -1.03347  SlogP: -0.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198574  Sterimol/B1: 2.48113  Sterimol/B2: 3.42782  Sterimol/B3: 3.46405
  Sterimol/B4: 3.62779  Sterimol/L: 20.2798 
 
 Surface and Volume Properties
  Accessible surface: 546.644  Positive charged surface: 434.304  Negative charged surface: 112.34  Volume: 254.125
  Hydrophobic surface: 377.57  Hydrophilic surface: 169.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.