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PUBCHEM-ZINC01446431

 MMsINC code: MMs02806384
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C(N1CCCC1)CCC(=O)N1CCCC1
InChI:   InChI=1/C12H20N2O2/c15-11(13-7-1-2-8-13)5-6-12(16)14-9-3-4-10-14/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.8107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -0.5923  SlogP: 1.0114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306341  Sterimol/B1: 2.57281  Sterimol/B2: 2.6293  Sterimol/B3: 3.24556
  Sterimol/B4: 4.62399  Sterimol/L: 15.4972 
 
 Surface and Volume Properties
  Accessible surface: 474.705  Positive charged surface: 385.296  Negative charged surface: 89.4086  Volume: 231.25
  Hydrophobic surface: 407.974  Hydrophilic surface: 66.731
 
 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.