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NCID-ZINC01653237

 MMsINC code: MMs02292300
Type: Neutral
Formula: C7H13NO2
SMILES:   O1CCN(CC1)C(=O)CC
InChI:   InChI=1/C7H13NO2/c1-2-7(9)8-3-5-10-6-4-8/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.6246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.15773  SlogP: 0.2552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116421  Sterimol/B1: 2.71009  Sterimol/B2: 3.34737  Sterimol/B3: 3.52122
  Sterimol/B4: 4.1445  Sterimol/L: 10.5038 
 
 Surface and Volume Properties
  Accessible surface: 332.195  Positive charged surface: 271.935  Negative charged surface: 60.2599  Volume: 148
  Hydrophobic surface: 265.814  Hydrophilic surface: 66.381
 
 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.