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PUBCHEM-ZINC05133389

 MMsINC code: MMs03208304
Type: Neutral
Formula: C12H25N5O2
SMILES:   O=C1N(CCNCCNCCNCCN)C(=O)CC1
InChI:   InChI=1/C12H25N5O2/c13-3-4-14-5-6-15-7-8-16-9-10-17-11(18)1-2-12(17)19/h14-16H,1-10,13H2

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Potential Energy
Epot(MMFF94)=9.39938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.365 g/mol  logS: 1.05071  SlogP: -2.1371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237888  Sterimol/B1: 2.51297  Sterimol/B2: 3.35509  Sterimol/B3: 3.67546
  Sterimol/B4: 4.82902  Sterimol/L: 21.0279 
 
 Surface and Volume Properties
  Accessible surface: 590.695  Positive charged surface: 481.191  Negative charged surface: 109.503  Volume: 278.625
  Hydrophobic surface: 386.365  Hydrophilic surface: 204.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03208305
PUBCHEM-ZINC05133389