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PUBCHEM-ZINC02160366

 MMsINC code: MMs02877870
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1NC(CCCC1)CCCC
InChI:   InChI=1/C10H19NO/c1-2-3-6-9-7-4-5-8-10(12)11-9/h9H,2-8H2,1H3,(H,11,12)/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.1968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.9586  SlogP: 2.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227067  Sterimol/B1: 3.67469  Sterimol/B2: 3.73946  Sterimol/B3: 3.97628
  Sterimol/B4: 3.99188  Sterimol/L: 11.3046 
 
 Surface and Volume Properties
  Accessible surface: 387.58  Positive charged surface: 284.586  Negative charged surface: 102.994  Volume: 185.875
  Hydrophobic surface: 292.466  Hydrophilic surface: 95.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.