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ASINEX-ZINC04143197

 MMsINC code: MMs00310479
Type: Neutral
Formula: C10H18N2O5
SMILES:   O1CC(=O)NCCNC(=O)COCCOCC1
InChI:   InChI=1/C10H18N2O5/c13-9-7-16-5-3-15-4-6-17-8-10(14)12-2-1-11-9/h1-8H2,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=78.2212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.263 g/mol  logS: -0.51244  SlogP: -1.7178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136954  Sterimol/B1: 2.44458  Sterimol/B2: 3.11954  Sterimol/B3: 3.79991
  Sterimol/B4: 7.08822  Sterimol/L: 11.3981 
 
 Surface and Volume Properties
  Accessible surface: 424.762  Positive charged surface: 345.989  Negative charged surface: 78.7731  Volume: 227.375
  Hydrophobic surface: 310.779  Hydrophilic surface: 113.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.