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NCID-ZINC05847455

 MMsINC code: MMs02507042
Type: Neutral
Formula: C15H27N3O6
SMILES:   OC(=O)CCN1CCN(CCN(CC1)CCC(O)=O)CCC(O)=O
InChI:   InChI=1/C15H27N3O6/c19-13(20)1-4-16-7-9-17(5-2-14(21)22)11-12-18(10-8-16)6-3-15(23)24/h1-12H2,(H,19,20)(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=139.325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.396 g/mol  logS: 0.93367  SlogP: -0.6699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.337863  Sterimol/B1: 2.38446  Sterimol/B2: 4.26645  Sterimol/B3: 5.02211
  Sterimol/B4: 8.10134  Sterimol/L: 14.2036 
 
 Surface and Volume Properties
  Accessible surface: 539.672  Positive charged surface: 395.748  Negative charged surface: 143.924  Volume: 316.625
  Hydrophobic surface: 262.948  Hydrophilic surface: 276.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  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: 0
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Ions/Tautomers related molecules: no related molecules available.