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PUBCHEM-ZINC03711200

 MMsINC code: MMs03054181
Type: Neutral
Formula: C15H25N5
SMILES:   n1c(c2CCCCNc2nc1N)CCN1CCCCC1
InChI:   InChI=1/C15H25N5/c16-15-18-13(7-11-20-9-4-1-5-10-20)12-6-2-3-8-17-14(12)19-15/h1-11H2,(H3,16,17,18,19)

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Potential Energy
Epot(MMFF94)=14.7655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.4 g/mol  logS: -2.14548  SlogP: 1.83534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739594  Sterimol/B1: 3.36345  Sterimol/B2: 3.39928  Sterimol/B3: 4.13274
  Sterimol/B4: 6.52316  Sterimol/L: 15.0363 
 
 Surface and Volume Properties
  Accessible surface: 531.531  Positive charged surface: 444.158  Negative charged surface: 87.3725  Volume: 281.625
  Hydrophobic surface: 384.037  Hydrophilic surface: 147.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules


MMs03054182
PUBCHEM-ZINC03711200