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NCID-ZINC01667829

 MMsINC code: MMs02303931
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(=O)CCOCCN1CC1)CCOCC
InChI:   InChI=1/C11H21NO4/c1-2-14-9-10-16-11(13)3-7-15-8-6-12-4-5-12/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.0403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.53985  SlogP: 0.2884  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0410366  Sterimol/B1: 2.13996  Sterimol/B2: 2.43466  Sterimol/B3: 4.24275
  Sterimol/B4: 6.10913  Sterimol/L: 17.2091 
 
 Surface and Volume Properties
  Accessible surface: 541.679  Positive charged surface: 426.989  Negative charged surface: 114.69  Volume: 241.125
  Hydrophobic surface: 465.152  Hydrophilic surface: 76.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02303932
NCID-ZINC01667829