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NCID-ZINC01857728

 MMsINC code: MMs02372643
Type: Neutral
Formula: C12H24N4O4
SMILES:   OC(=O)CN1CCNCCN(CCNCC1)CC(O)=O
InChI:   InChI=1/C12H24N4O4/c17-11(18)9-15-5-1-13-2-6-16(10-12(19)20)8-4-14-3-7-15/h13-14H,1-10H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=383.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.348 g/mol  logS: 0.93928  SlogP: -2.0476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.594113  Sterimol/B1: 3.26293  Sterimol/B2: 3.90225  Sterimol/B3: 5.37216
  Sterimol/B4: 6.05485  Sterimol/L: 10.6389 
 
 Surface and Volume Properties
  Accessible surface: 450.38  Positive charged surface: 361.582  Negative charged surface: 88.7975  Volume: 261.625
  Hydrophobic surface: 246.971  Hydrophilic surface: 203.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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: no related molecules available.