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CHEMBRIDGE-ZINC01848198

 MMsINC code: MMs00699132
Type: Neutral
Formula: C8H13NO4
SMILES:   O(C(=O)NC1(CCCC1)C(O)=O)C
InChI:   InChI=1/C8H13NO4/c1-13-7(12)9-8(6(10)11)4-2-3-5-8/h2-5H2,1H3,(H,9,12)(H,10,11)

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Potential Energy
Epot(MMFF94)=32.6491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.195 g/mol  logS: -0.79169  SlogP: 0.7398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168782  Sterimol/B1: 2.91291  Sterimol/B2: 3.37019  Sterimol/B3: 3.46349
  Sterimol/B4: 5.35352  Sterimol/L: 11.3871 
 
 Surface and Volume Properties
  Accessible surface: 370.905  Positive charged surface: 282.444  Negative charged surface: 88.4609  Volume: 171.75
  Hydrophobic surface: 252.309  Hydrophilic surface: 118.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00699133
CHEMBRIDGE-ZINC01848198