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PUBCHEM-ZINC04096102

 MMsINC code: MMs03089729
Type: Neutral
Formula: C14H30N4O2
SMILES:   O=C(NCCCNCCCCNCCCNC(=O)C)C
InChI:   InChI=1/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=-10.0127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.42 g/mol  logS: -0.29136  SlogP: -0.0018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00942951  Sterimol/B1: 2.50088  Sterimol/B2: 2.52371  Sterimol/B3: 2.79347
  Sterimol/B4: 3.80683  Sterimol/L: 25.245 
 
 Surface and Volume Properties
  Accessible surface: 666.832  Positive charged surface: 526.294  Negative charged surface: 140.538  Volume: 311.625
  Hydrophobic surface: 513.69  Hydrophilic surface: 153.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03089730
PUBCHEM-ZINC04096102