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PUBCHEM-ZINC05526194

 MMsINC code: MMs03297531
Type: Neutral
Formula: C7H13NO2
SMILES:   O(C(=O)NC1CCCC1)C
InChI:   InChI=1/C7H13NO2/c1-10-7(9)8-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.60548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.79585  SlogP: 1.285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102679  Sterimol/B1: 2.88781  Sterimol/B2: 3.2588  Sterimol/B3: 3.31492
  Sterimol/B4: 3.3994  Sterimol/L: 11.4793 
 
 Surface and Volume Properties
  Accessible surface: 345.361  Positive charged surface: 276.925  Negative charged surface: 68.4359  Volume: 148.5
  Hydrophobic surface: 284.82  Hydrophilic surface: 60.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.