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CHEMBRIDGE-ZINC02890705

 MMsINC code: MMs00736632
Type: Neutral
Formula: C11H19NO4
SMILES:   O(CCNC(=O)C1CCCCC1C(O)=O)C
InChI:   InChI=1/C11H19NO4/c1-16-7-6-12-10(13)8-4-2-3-5-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=18.5578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.99737  SlogP: 0.64  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086057  Sterimol/B1: 2.56834  Sterimol/B2: 4.08304  Sterimol/B3: 4.59848
  Sterimol/B4: 5.7174  Sterimol/L: 13.5283 
 
 Surface and Volume Properties
  Accessible surface: 460.43  Positive charged surface: 369.646  Negative charged surface: 90.784  Volume: 222.125
  Hydrophobic surface: 347.225  Hydrophilic surface: 113.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00736633
CHEMBRIDGE-ZINC02890705