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BACHEM-ZINC02506593

 MMsINC code: MMs00483198
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)C(NC)CCCCNC(=O)C)C
InChI:   InChI=1/C10H20N2O3/c1-8(13)12-7-5-4-6-9(11-2)10(14)15-3/h9,11H,4-7H2,1-3H3,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=27.0454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.55089  SlogP: 0.0538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375706  Sterimol/B1: 2.87699  Sterimol/B2: 2.98397  Sterimol/B3: 3.73761
  Sterimol/B4: 5.60915  Sterimol/L: 16.1867 
 
 Surface and Volume Properties
  Accessible surface: 491.822  Positive charged surface: 394.478  Negative charged surface: 97.3438  Volume: 225.625
  Hydrophobic surface: 385.273  Hydrophilic surface: 106.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.