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PUBCHEM-ZINC06452890

 MMsINC code: MMs03741538
Type: Neutral
Formula: C14H26N2O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1NC(=O)CCCCCNC(OC)=O
InChI:   InChI=1/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=41.1013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.368 g/mol  logS: 0.13822  SlogP: -2.1811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242481  Sterimol/B1: 2.98942  Sterimol/B2: 3.29879  Sterimol/B3: 4.847
  Sterimol/B4: 5.40098  Sterimol/L: 20.9346 
 
 Surface and Volume Properties
  Accessible surface: 645.042  Positive charged surface: 512.535  Negative charged surface: 132.507  Volume: 317.625
  Hydrophobic surface: 358.057  Hydrophilic surface: 286.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.