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NCID-ZINC01685004

 MMsINC code: MMs02318271
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C(NC1CCCCC1NC(=O)C)C
InChI:   InChI=1/C10H18N2O2/c1-7(13)11-9-5-3-4-6-10(9)12-8(2)14/h9-10H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=12.2488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.90632  SlogP: 0.5698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138076  Sterimol/B1: 2.26628  Sterimol/B2: 2.94643  Sterimol/B3: 3.27239
  Sterimol/B4: 7.79231  Sterimol/L: 11.1368 
 
 Surface and Volume Properties
  Accessible surface: 427.549  Positive charged surface: 296.21  Negative charged surface: 131.34  Volume: 205
  Hydrophobic surface: 339.521  Hydrophilic surface: 88.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.