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PUBCHEM-ZINC05133747

 MMsINC code: MMs03208663
Type: Neutral
Formula: C10H20N2O
SMILES:   O=NN1CCCCCCCCCC1
InChI:   InChI=1/C10H20N2O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.4431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -2.80763  SlogP: 3.1042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244352  Sterimol/B1: 2.67482  Sterimol/B2: 3.21419  Sterimol/B3: 3.27818
  Sterimol/B4: 6.2926  Sterimol/L: 10.0073 
 
 Surface and Volume Properties
  Accessible surface: 378.057  Positive charged surface: 273.648  Negative charged surface: 104.409  Volume: 199.25
  Hydrophobic surface: 377.361  Hydrophilic surface: 0.69600000000003
 
 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.