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VITASM-ZINC04784726

 MMsINC code: MMs03965630
Type: Neutral
Formula: C11H18N2O5
SMILES:   O(CC)C(=O)N1CCN(CC1)C(=O)CCC(O)=O
InChI:   InChI=1/C11H18N2O5/c1-2-18-11(17)13-7-5-12(6-8-13)9(14)3-4-10(15)16/h2-8H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=10.8142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -0.03625  SlogP: 0.1519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352402  Sterimol/B1: 2.2987  Sterimol/B2: 2.89964  Sterimol/B3: 3.13263
  Sterimol/B4: 6.29259  Sterimol/L: 16.5998 
 
 Surface and Volume Properties
  Accessible surface: 497.44  Positive charged surface: 376.662  Negative charged surface: 120.778  Volume: 237.125
  Hydrophobic surface: 309.909  Hydrophilic surface: 187.531
 
 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


MMs03965631
VITASM-ZINC04784726