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NCID-ZINC01600944

 MMsINC code: MMs02254031
Type: Neutral
Formula: C5H11NO2
SMILES:   O(CCCNC=O)C
InChI:   InChI=1/C5H11NO2/c1-8-4-2-3-6-5-7/h5H,2-4H2,1H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.96505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.148 g/mol  logS: -0.0038  SlogP: -0.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465565  Sterimol/B1: 2.3752  Sterimol/B2: 2.37553  Sterimol/B3: 2.71342
  Sterimol/B4: 3.14738  Sterimol/L: 11.9968 
 
 Surface and Volume Properties
  Accessible surface: 320.156  Positive charged surface: 272.568  Negative charged surface: 47.5878  Volume: 123
  Hydrophobic surface: 222.838  Hydrophilic surface: 97.318
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.