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PUBCHEM-ZINC02924334

 MMsINC code: MMs02960450
Type: Neutral
Formula: C11H25N3O3
SMILES:   O1CCN(CC1)CC(O)CN(CC(O)CN)C
InChI:   InChI=1/C11H25N3O3/c1-13(7-10(15)6-12)8-11(16)9-14-2-4-17-5-3-14/h10-11,15-16H,2-9,12H2,1H3/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=89.0207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.339 g/mol  logS: 1.03592  SlogP: -2.0691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686877  Sterimol/B1: 2.39965  Sterimol/B2: 3.22054  Sterimol/B3: 3.37726
  Sterimol/B4: 7.07239  Sterimol/L: 15.1752 
 
 Surface and Volume Properties
  Accessible surface: 503.613  Positive charged surface: 443.979  Negative charged surface: 59.6334  Volume: 252.75
  Hydrophobic surface: 352.346  Hydrophilic surface: 151.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs02960451
PUBCHEM-ZINC02924334