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MAYBRIDGE-ZINC02563879

 MMsINC code: MMs02159725
Type: Neutral
Formula: C10H18N2O2
SMILES:   O1CCN(CC1)C(=O)C1NCCCC1
InChI:   InChI=1/C10H18N2O2/c13-10(9-3-1-2-4-11-9)12-5-7-14-8-6-12/h9,11H,1-8H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=51.8167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.46969  SlogP: -0.0127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11524  Sterimol/B1: 2.5914  Sterimol/B2: 2.87544  Sterimol/B3: 3.91399
  Sterimol/B4: 5.27042  Sterimol/L: 12.29 
 
 Surface and Volume Properties
  Accessible surface: 396.767  Positive charged surface: 333.51  Negative charged surface: 63.2564  Volume: 200.125
  Hydrophobic surface: 332.12  Hydrophilic surface: 64.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02159726
MAYBRIDGE-ZINC02563879