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IBS-ZINC02348948

 MMsINC code: MMs01839730
Type: Neutral
Formula: C11H24N4O2
SMILES:   O=C(NCCCCNCCCN(C)C)\C=N\O
InChI:   InChI=1/C11H24N4O2/c1-15(2)9-5-7-12-6-3-4-8-13-11(16)10-14-17/h10,12,17H,3-9H2,1-2H3,(H,13,16)/b14-10+

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Potential Energy
Epot(MMFF94)=35.6011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.339 g/mol  logS: 0.11898  SlogP: -0.1159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017298  Sterimol/B1: 2.28454  Sterimol/B2: 2.54136  Sterimol/B3: 3.38374
  Sterimol/B4: 4.11117  Sterimol/L: 21.5187 
 
 Surface and Volume Properties
  Accessible surface: 558.722  Positive charged surface: 465.24  Negative charged surface: 93.4825  Volume: 257
  Hydrophobic surface: 376.345  Hydrophilic surface: 182.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01839731
IBS-ZINC02348948