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ACROSORGANICS-ZINC01597363

 MMsINC code: MMs00009743
Type: Neutral
Formula: C9H19NO
SMILES:   O=CN(CCCC)CCCC
InChI:   InChI=1/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.27061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -1.6418  SlogP: 2.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0795926  Sterimol/B1: 2.19585  Sterimol/B2: 2.663  Sterimol/B3: 3.46629
  Sterimol/B4: 5.70214  Sterimol/L: 13.5235 
 
 Surface and Volume Properties
  Accessible surface: 404.945  Positive charged surface: 315.281  Negative charged surface: 89.6639  Volume: 186.125
  Hydrophobic surface: 311.557  Hydrophilic surface: 93.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.