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PUBCHEM-ZINC03802759

 MMsINC code: MMs03076731
Type: Neutral
Formula: C14H26N4O6
SMILES:   OC(=O)CN1CCN(CCNCCN(CC1)CC(O)=O)CC(O)=O
InChI:   InChI=1/C14H26N4O6/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/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=511.144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.384 g/mol  logS: 0.81249  SlogP: -2.2506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.557896  Sterimol/B1: 3.2128  Sterimol/B2: 3.51082  Sterimol/B3: 5.57476
  Sterimol/B4: 7.44943  Sterimol/L: 11.6185 
 
 Surface and Volume Properties
  Accessible surface: 490.974  Positive charged surface: 359.788  Negative charged surface: 131.186  Volume: 297.5
  Hydrophobic surface: 225.336  Hydrophilic surface: 265.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  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


MMs03076732
PUBCHEM-ZINC03802759