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PUBCHEM-ZINC05734967

 MMsINC code: MMs03365093
Type: Neutral
Formula: C18H30N5O2+
SMILES:   O=C1N(C)C(=O)N(C=2NC(=[N+]3CCCCC3)N(C1=2)CCCCCC)C
InChI:   InChI=1/C18H29N5O2/c1-4-5-6-10-13-23-14-15(20(2)18(25)21(3)16(14)24)19-17(23)22-11-8-7-9-12-22/h4-13H2,1-3H3/p+1

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Potential Energy
Epot(MMFF94)=18.8367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.471 g/mol  logS: -3.4712  SlogP: 1.7172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106332  Sterimol/B1: 2.57885  Sterimol/B2: 4.79561  Sterimol/B3: 6.39381
  Sterimol/B4: 8.02997  Sterimol/L: 16.1539 
 
 Surface and Volume Properties
  Accessible surface: 636.304  Positive charged surface: 531.898  Negative charged surface: 104.406  Volume: 351.125
  Hydrophobic surface: 524.012  Hydrophilic surface: 112.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.