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ACROSORGANICS-ZINC00394707

 MMsINC code: MMs00007418
Type: Neutral
Formula: C6H11NO
SMILES:   O=C1NCCCCC1
InChI:   InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.1214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.16 g/mol  logS: -0.39918  SlogP: 0.6766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.32422  Sterimol/B1: 2.44366  Sterimol/B2: 2.93094  Sterimol/B3: 2.94002
  Sterimol/B4: 5.51315  Sterimol/L: 7.86362 
 
 Surface and Volume Properties
  Accessible surface: 282.392  Positive charged surface: 208.691  Negative charged surface: 73.7001  Volume: 119.625
  Hydrophobic surface: 209.529  Hydrophilic surface: 72.863
 
 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.