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PUBCHEM-ZINC02883150

 MMsINC code: MMs02953139
Type: Neutral
Formula: C15H23N5O
SMILES:   O=C(NC1CCCCC1)N1CCN(CC1)c1ncccn1
InChI:   InChI=1/C15H23N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21)

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Potential Energy
Epot(MMFF94)=50.4681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.383 g/mol  logS: -2.34467  SlogP: 1.6409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888249  Sterimol/B1: 2.97868  Sterimol/B2: 3.32348  Sterimol/B3: 4.94664
  Sterimol/B4: 5.17302  Sterimol/L: 17.0101 
 
 Surface and Volume Properties
  Accessible surface: 545.384  Positive charged surface: 456.249  Negative charged surface: 89.1356  Volume: 288.375
  Hydrophobic surface: 479.545  Hydrophilic surface: 65.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.