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CHEMBRIDGE-ZINC04996979

 MMsINC code: MMs00824186
Type: Neutral
Formula: C11H24N4O2
SMILES:   O=C(NCCCNCCCCN(C)C)\C=N/O
InChI:   InChI=1/C11H24N4O2/c1-15(2)9-4-3-6-12-7-5-8-13-11(16)10-14-17/h10,12,17H,3-9H2,1-2H3,(H,13,16)/b14-10-

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Potential Energy
Epot(MMFF94)=44.4732 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: 0.0172721  Sterimol/B1: 2.10187  Sterimol/B2: 2.50317  Sterimol/B3: 3.41066
  Sterimol/B4: 4.58414  Sterimol/L: 20.5884 
 
 Surface and Volume Properties
  Accessible surface: 552.215  Positive charged surface: 473.892  Negative charged surface: 78.3235  Volume: 256.875
  Hydrophobic surface: 377.832  Hydrophilic surface: 174.383
 
 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


MMs00824187
CHEMBRIDGE-ZINC04996979