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PUBCHEM-ZINC04202829

 MMsINC code: MMs03099097
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1CCCNC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=16.0102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.14088  SlogP: 1.2631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823755  Sterimol/B1: 2.10987  Sterimol/B2: 3.05558  Sterimol/B3: 4.41583
  Sterimol/B4: 4.71251  Sterimol/L: 13.6097 
 
 Surface and Volume Properties
  Accessible surface: 435.169  Positive charged surface: 343.16  Negative charged surface: 92.0089  Volume: 209.75
  Hydrophobic surface: 307.218  Hydrophilic surface: 127.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03099098
PUBCHEM-ZINC04202829