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PUBCHEM-ZINC06046915

 MMsINC code: MMs03513041
Type: Ionized
Formula: C16H34N4O4+2
SMILES:   O(CC)C(=O)NCCC[NH+]1CC[NH+](CC1)CCCNC(OCC)=O
InChI:   InChI=1/C16H32N4O4/c1-3-23-15(21)17-7-5-9-19-11-13-20(14-12-19)10-6-8-18-16(22)24-4-2/h3-14H2,1-2H3,(H,17,21)(H,18,22)/p+2

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Potential Energy
Epot(MMFF94)=25.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.472 g/mol  logS: -1.04312  SlogP: -1.9578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300478  Sterimol/B1: 2.53665  Sterimol/B2: 2.57505  Sterimol/B3: 4.27943
  Sterimol/B4: 9.17122  Sterimol/L: 21.6571 
 
 Surface and Volume Properties
  Accessible surface: 718.286  Positive charged surface: 609.441  Negative charged surface: 108.845  Volume: 360.375
  Hydrophobic surface: 494.17  Hydrophilic surface: 224.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs03513040
PUBCHEM-ZINC06046915