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PUBCHEM-ZINC06083590

 MMsINC code: MMs03533628
Type: Neutral
Formula: C15H24N5O3+
SMILES:   O=C1N(C)C(=O)N(C=2NC(=[N+]3CCCCC3)N(C1=2)CCOC)C
InChI:   InChI=1/C15H23N5O3/c1-17-12-11(13(21)18(2)15(17)22)20(9-10-23-3)14(16-12)19-7-5-4-6-8-19/h4-10H2,1-3H3/p+1

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Potential Energy
Epot(MMFF94)=28.2476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.389 g/mol  logS: -1.5392  SlogP: -0.2167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162835  Sterimol/B1: 2.05699  Sterimol/B2: 3.24845  Sterimol/B3: 4.91192
  Sterimol/B4: 9.15902  Sterimol/L: 14.2589 
 
 Surface and Volume Properties
  Accessible surface: 553.798  Positive charged surface: 488.6  Negative charged surface: 65.1986  Volume: 310.375
  Hydrophobic surface: 465.599  Hydrophilic surface: 88.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 3
  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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Ions/Tautomers related molecules: no related molecules available.