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CHEMDIV-ZINC02757113

 MMsINC code: MMs00887609
Type: Neutral
Formula: C10H17NO4
SMILES:   O1C(CN(CC1C)C(=O)C(OCC)=O)C
InChI:   InChI=1/C10H17NO4/c1-4-14-10(13)9(12)11-5-7(2)15-8(3)6-11/h7-8H,4-6H2,1-3H3/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -1.3384  SlogP: 0.1853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526134  Sterimol/B1: 2.58144  Sterimol/B2: 3.44371  Sterimol/B3: 3.67953
  Sterimol/B4: 5.40674  Sterimol/L: 14.1994 
 
 Surface and Volume Properties
  Accessible surface: 446.657  Positive charged surface: 326.419  Negative charged surface: 120.237  Volume: 209.375
  Hydrophobic surface: 299.887  Hydrophilic surface: 146.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.