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PUBCHEM-ZINC06126155

 MMsINC code: MMs03550099
Type: Neutral
Formula: C14H28N4O4
SMILES:   O(C(=O)NCCCN1CCN(CC1)CCCNC(OC)=O)C
InChI:   InChI=1/C14H28N4O4/c1-21-13(19)15-5-3-7-17-9-11-18(12-10-17)8-4-6-16-14(20)22-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)

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Potential Energy
Epot(MMFF94)=12.923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.402 g/mol  logS: -0.43748  SlogP: 0.0962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189572  Sterimol/B1: 2.32404  Sterimol/B2: 2.77848  Sterimol/B3: 3.16498
  Sterimol/B4: 7.14269  Sterimol/L: 22.3671 
 
 Surface and Volume Properties
  Accessible surface: 642.547  Positive charged surface: 564.151  Negative charged surface: 78.3961  Volume: 315.75
  Hydrophobic surface: 498.815  Hydrophilic surface: 143.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03550100
PUBCHEM-ZINC06126155