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PUBCHEM-ZINC00161790

 MMsINC code: MMs02636017
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC(C)(C)C)N1CCCCC1
InChI:   InChI=1/C10H20N2O/c1-10(2,3)11-9(13)12-7-5-4-6-8-12/h4-8H2,1-3H3,(H,11,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.06347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -1.23412  SlogP: 1.9804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122277  Sterimol/B1: 2.27025  Sterimol/B2: 3.18543  Sterimol/B3: 4.49277
  Sterimol/B4: 4.92499  Sterimol/L: 12.0344 
 
 Surface and Volume Properties
  Accessible surface: 413.581  Positive charged surface: 319.724  Negative charged surface: 93.8565  Volume: 201
  Hydrophobic surface: 337.908  Hydrophilic surface: 75.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.