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NCID-ZINC01671749

 MMsINC code: MMs02307821
Type: Neutral
Formula: C10H20N2O2
SMILES:   O1CCN(CC1)C(=O)CN(CC)CC
InChI:   InChI=1/C10H20N2O2/c1-3-11(4-2)9-10(13)12-5-7-14-8-6-12/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.50091  SlogP: 0.187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115444  Sterimol/B1: 2.37083  Sterimol/B2: 3.41736  Sterimol/B3: 3.57397
  Sterimol/B4: 6.15862  Sterimol/L: 12.1496 
 
 Surface and Volume Properties
  Accessible surface: 432.701  Positive charged surface: 355.666  Negative charged surface: 77.0344  Volume: 211
  Hydrophobic surface: 350.662  Hydrophilic surface: 82.039
 
 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


MMs02307822
NCID-ZINC01671749