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NCID-ZINC01699940

 MMsINC code: MMs02329836
Type: Neutral
Formula: C6H11NO3
SMILES:   O(C(=O)CN(C=O)C)CC
InChI:   InChI=1/C6H11NO3/c1-3-10-6(9)4-7(2)5-8/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: -0.28878  SlogP: -0.3623  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0901687  Sterimol/B1: 2.91098  Sterimol/B2: 3.1441  Sterimol/B3: 3.34141
  Sterimol/B4: 3.78483  Sterimol/L: 11.7046 
 
 Surface and Volume Properties
  Accessible surface: 349.407  Positive charged surface: 269.74  Negative charged surface: 79.6669  Volume: 144.5
  Hydrophobic surface: 227.721  Hydrophilic surface: 121.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.