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APOLLO-ZINC02556447

 MMsINC code: MMs00053403
Type: Neutral
Formula: C7H13NO2
SMILES:   OC(=O)C1CCN(CC1)C
InChI:   InChI=1/C7H13NO2/c1-8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.24318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: 0.20687  SlogP: 0.4128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104506  Sterimol/B1: 2.63989  Sterimol/B2: 3.11467  Sterimol/B3: 3.46238
  Sterimol/B4: 3.86699  Sterimol/L: 10.7562 
 
 Surface and Volume Properties
  Accessible surface: 330.045  Positive charged surface: 271.296  Negative charged surface: 58.7492  Volume: 144.75
  Hydrophobic surface: 236.395  Hydrophilic surface: 93.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.