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PUBCHEM-ZINC05840415

 MMsINC code: MMs03410486
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(CC(CCC)(COC(=O)N)C)C(=O)NCCC
InChI:   InChI=1/C12H24N2O4/c1-4-6-12(3,8-17-10(13)15)9-18-11(16)14-7-5-2/h4-9H2,1-3H3,(H2,13,15)(H,14,16)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.73187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -2.36004  SlogP: 2.0243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633287  Sterimol/B1: 2.1841  Sterimol/B2: 3.36295  Sterimol/B3: 3.47464
  Sterimol/B4: 7.32739  Sterimol/L: 17.711 
 
 Surface and Volume Properties
  Accessible surface: 541.194  Positive charged surface: 401.791  Negative charged surface: 139.403  Volume: 264.75
  Hydrophobic surface: 310.861  Hydrophilic surface: 230.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.