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IBS-ZINC02327092

 MMsINC code: MMs01833328
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C(NC1CC1)C(=O)NCCCCCC
InChI:   InChI=1/C11H20N2O2/c1-2-3-4-5-8-12-10(14)11(15)13-9-6-7-9/h9H,2-8H2,1H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=26.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -2.5627  SlogP: 0.9615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021526  Sterimol/B1: 2.72565  Sterimol/B2: 2.83122  Sterimol/B3: 2.95513
  Sterimol/B4: 3.89704  Sterimol/L: 18.1508 
 
 Surface and Volume Properties
  Accessible surface: 498.574  Positive charged surface: 361.927  Negative charged surface: 136.647  Volume: 228
  Hydrophobic surface: 325.663  Hydrophilic surface: 172.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.