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PUBCHEM-ZINC05997847

 MMsINC code: MMs03481870
Type: Neutral
Formula: C7H13NO2
SMILES:   O=C1N(CCC1)CCOC
InChI:   InChI=1/C7H13NO2/c1-10-6-5-8-4-2-3-7(8)9/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.03229  SlogP: 0.2552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196401  Sterimol/B1: 2.56434  Sterimol/B2: 2.79206  Sterimol/B3: 4.13516
  Sterimol/B4: 4.98451  Sterimol/L: 10.4499 
 
 Surface and Volume Properties
  Accessible surface: 345.203  Positive charged surface: 293.726  Negative charged surface: 51.4777  Volume: 148.375
  Hydrophobic surface: 307.059  Hydrophilic surface: 38.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.