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NCID-ZINC05822388

 MMsINC code: MMs02502327
Type: Neutral
Formula: C14H28N4O4
SMILES:   O(CC)C(=O)N1CCNCCN(CCNCC1)C(OCC)=O
InChI:   InChI=1/C14H28N4O4/c1-3-21-13(19)17-9-5-15-7-11-18(14(20)22-4-2)12-8-16-6-10-17/h15-16H,3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=60.3992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.402 g/mol  logS: -0.21448  SlogP: 0.0962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308399  Sterimol/B1: 2.23302  Sterimol/B2: 3.30093  Sterimol/B3: 5.201
  Sterimol/B4: 8.97553  Sterimol/L: 11.9384 
 
 Surface and Volume Properties
  Accessible surface: 569.759  Positive charged surface: 487.605  Negative charged surface: 82.1542  Volume: 314.125
  Hydrophobic surface: 429.2  Hydrophilic surface: 140.559
 
 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


MMs02502328
NCID-ZINC05822388