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PUBCHEM-ZINC06072976

 MMsINC code: MMs03525761
Type: Ionized
Formula: C15H26N5O3+
SMILES:   OC=1N(CCCC)C(=O)NC(=O)C=1\C=N\CC[NH+]1CCNCC1
InChI:   InChI=1/C15H25N5O3/c1-2-3-7-20-14(22)12(13(21)18-15(20)23)11-17-6-10-19-8-4-16-5-9-19/h11,16,22H,2-10H2,1H3,(H,18,21,23)/p+1/b17-11+

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Potential Energy
Epot(MMFF94)=27.4705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.405 g/mol  logS: -1.24074  SlogP: -1.3332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245465  Sterimol/B1: 2.32696  Sterimol/B2: 2.34781  Sterimol/B3: 4.09377
  Sterimol/B4: 7.22146  Sterimol/L: 19.4576 
 
 Surface and Volume Properties
  Accessible surface: 613.936  Positive charged surface: 496.886  Negative charged surface: 117.05  Volume: 318.5
  Hydrophobic surface: 382.724  Hydrophilic surface: 231.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 1
  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:


MMs03525760
PUBCHEM-ZINC06072976