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NCID-ZINC04744429

 MMsINC code: MMs02399966
Type: Neutral
Formula: C12H26N4O2
SMILES:   O=C(NCCCCCCCCCCNC(=O)N)N
InChI:   InChI=1/C12H26N4O2/c13-11(17)15-9-7-5-3-1-2-4-6-8-10-16-12(14)18/h1-10H2,(H3,13,15,17)(H3,14,16,18)

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Potential Energy
Epot(MMFF94)=-57.7833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.366 g/mol  logS: -2.69806  SlogP: 1.4438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116104  Sterimol/B1: 2.37501  Sterimol/B2: 2.37586  Sterimol/B3: 2.8285
  Sterimol/B4: 3.7381  Sterimol/L: 22.6652 
 
 Surface and Volume Properties
  Accessible surface: 578.973  Positive charged surface: 463.806  Negative charged surface: 115.167  Volume: 272.75
  Hydrophobic surface: 313.355  Hydrophilic surface: 265.618
 
 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.