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NCID-ZINC01734482

 MMsINC code: MMs02356823
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(CC)C(=O)NC1CCC1NC(OCC)=O
InChI:   InChI=1/C10H18N2O4/c1-3-15-9(13)11-7-5-6-8(7)12-10(14)16-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t7-,8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.36077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -1.29612  SlogP: 1.0096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526176  Sterimol/B1: 2.32866  Sterimol/B2: 2.77396  Sterimol/B3: 3.69025
  Sterimol/B4: 6.98006  Sterimol/L: 16.0472 
 
 Surface and Volume Properties
  Accessible surface: 504.527  Positive charged surface: 283.419  Negative charged surface: 105.793  Volume: 221.5
  Hydrophobic surface: 330.78  Hydrophilic surface: 173.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.