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PUBCHEM-ZINC05134075

 MMsINC code: MMs03208991
Type: Neutral
Formula: C14H25N4O6-
SMILES:   OC(=O)CN1CC[N-]CCN(CCN(CC1)CC(O)=O)CC(O)=O
InChI:   InChI=1/C14H25N4O6/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h1-11H2,(H,19,20)(H,21,22)(H,23,24)/q-1

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Potential Energy
Epot(MMFF94)=404.588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.376 g/mol  logS: 0.7881  SlogP: -1.4665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.365724  Sterimol/B1: 3.05501  Sterimol/B2: 4.47592  Sterimol/B3: 5.33808
  Sterimol/B4: 6.2193  Sterimol/L: 13.1675 
 
 Surface and Volume Properties
  Accessible surface: 509.136  Positive charged surface: 371.985  Negative charged surface: 137.15  Volume: 302.5
  Hydrophobic surface: 250.158  Hydrophilic surface: 258.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 1  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.