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CHEMBRIDGE-ZINC04750282

 MMsINC code: MMs00783755
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C1N(CCC1)CCCNC(=O)CCCC
InChI:   InChI=1/C12H22N2O2/c1-2-3-6-11(15)13-8-5-10-14-9-4-7-12(14)16/h2-10H2,1H3,(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.58204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.50356  SlogP: 1.3053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389788  Sterimol/B1: 3.26223  Sterimol/B2: 3.47629  Sterimol/B3: 3.54036
  Sterimol/B4: 4.00451  Sterimol/L: 17.6773 
 
 Surface and Volume Properties
  Accessible surface: 511.039  Positive charged surface: 398.993  Negative charged surface: 112.046  Volume: 241.375
  Hydrophobic surface: 398.789  Hydrophilic surface: 112.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.