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CHEMBRIDGE-ZINC04838382

 MMsINC code: MMs00796777
Type: Neutral
Formula: C11H23N3O2
SMILES:   O1CCN(CC1)CCNC(=O)N(CC)CC
InChI:   InChI=1/C11H23N3O2/c1-3-14(4-2)11(15)12-5-6-13-7-9-16-10-8-13/h3-10H2,1-2H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=22.3189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.324 g/mol  logS: -0.34213  SlogP: 0.37  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765545  Sterimol/B1: 2.12034  Sterimol/B2: 2.51302  Sterimol/B3: 4.48537
  Sterimol/B4: 6.28389  Sterimol/L: 14.7179 
 
 Surface and Volume Properties
  Accessible surface: 490.509  Positive charged surface: 408.263  Negative charged surface: 82.2458  Volume: 243.5
  Hydrophobic surface: 397.721  Hydrophilic surface: 92.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00796778
CHEMBRIDGE-ZINC04838382