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CHEMBRIDGE-ZINC04997372

 MMsINC code: MMs00824442
Type: Neutral
Formula: C14H26N4O2
SMILES:   O=C(NC1CC1)NCCCCCCNC(=O)NC1CC1
InChI:   InChI=1/C14H26N4O2/c19-13(17-11-5-6-11)15-9-3-1-2-4-10-16-14(20)18-12-7-8-12/h11-12H,1-10H2,(H2,15,17,19)(H2,16,18,20)

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Potential Energy
Epot(MMFF94)=-19.3347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.388 g/mol  logS: -1.52996  SlogP: 1.47  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0142651  Sterimol/B1: 2.02109  Sterimol/B2: 3.05361  Sterimol/B3: 3.61163
  Sterimol/B4: 3.75997  Sterimol/L: 22.799 
 
 Surface and Volume Properties
  Accessible surface: 628.25  Positive charged surface: 474.467  Negative charged surface: 153.783  Volume: 299.25
  Hydrophobic surface: 400.217  Hydrophilic surface: 228.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.