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ASINEX-ZINC04866524

 MMsINC code: MMs00389987
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(CCC1)C(=O)CN1CCCCC1
InChI:   InChI=1/C11H18N2O2/c14-10-5-4-8-13(10)11(15)9-12-6-2-1-3-7-12/h1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -0.929  SlogP: 0.6213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599601  Sterimol/B1: 2.90283  Sterimol/B2: 3.39502  Sterimol/B3: 3.42948
  Sterimol/B4: 4.0019  Sterimol/L: 13.5704 
 
 Surface and Volume Properties
  Accessible surface: 429.289  Positive charged surface: 339.727  Negative charged surface: 89.5616  Volume: 211
  Hydrophobic surface: 366.027  Hydrophilic surface: 63.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00389988
ASINEX-ZINC04866524