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NCID-ZINC01566619

 MMsINC code: MMs02227881
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CCCNC(=O)CCCCC)C
InChI:   InChI=1/C10H21NO2/c1-3-4-5-7-10(12)11-8-6-9-13-2/h3-9H2,1-2H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.24297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.86231  SlogP: 1.7194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020198  Sterimol/B1: 2.37535  Sterimol/B2: 2.37601  Sterimol/B3: 2.49573
  Sterimol/B4: 3.41742  Sterimol/L: 18.1877 
 
 Surface and Volume Properties
  Accessible surface: 473.745  Positive charged surface: 399.129  Negative charged surface: 74.6167  Volume: 212.875
  Hydrophobic surface: 392.075  Hydrophilic surface: 81.67
 
 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.