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PUBCHEM-ZINC03100848

 MMsINC code: MMs02993726
Type: Neutral
Formula: C11H18N2O5
SMILES:   OC(=O)C(N(C(=O)C)CN(C(=O)C)C(=O)C)CC
InChI:   InChI=1/C11H18N2O5/c1-5-10(11(17)18)13(9(4)16)6-12(7(2)14)8(3)15/h10H,5-6H2,1-4H3,(H,17,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=99.5743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -0.36341  SlogP: 0.0506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22872  Sterimol/B1: 2.26516  Sterimol/B2: 2.51327  Sterimol/B3: 5.10707
  Sterimol/B4: 6.09638  Sterimol/L: 11.2453 
 
 Surface and Volume Properties
  Accessible surface: 425.259  Positive charged surface: 264.201  Negative charged surface: 161.058  Volume: 233
  Hydrophobic surface: 256.693  Hydrophilic surface: 168.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02993727
PUBCHEM-ZINC03100848