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ENAMINE-ZINC00586810

 MMsINC code: MMs01233832
Type: Neutral
Formula: C10H17NO
SMILES:   O=C(NC1CCCCC1)C1CC1
InChI:   InChI=1/C10H17NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.3031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.252 g/mol  logS: -1.54311  SlogP: 1.8453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870611  Sterimol/B1: 2.78245  Sterimol/B2: 3.37344  Sterimol/B3: 3.51939
  Sterimol/B4: 4.16596  Sterimol/L: 12.6654 
 
 Surface and Volume Properties
  Accessible surface: 392.977  Positive charged surface: 289.332  Negative charged surface: 103.645  Volume: 183
  Hydrophobic surface: 309.332  Hydrophilic surface: 83.645
 
 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.