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PUBCHEM-ZINC06039173

 MMsINC code: MMs03508307
Type: Neutral
Formula: C10H20N2O2
SMILES:   O1CCN(CC1)CCNC(=O)CCC
InChI:   InChI=1/C10H20N2O2/c1-2-3-10(13)11-4-5-12-6-8-14-9-7-12/h2-9H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=37.7032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.67683  SlogP: 0.2349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360545  Sterimol/B1: 3.01501  Sterimol/B2: 3.09818  Sterimol/B3: 3.55353
  Sterimol/B4: 3.99324  Sterimol/L: 15.6524 
 
 Surface and Volume Properties
  Accessible surface: 448.74  Positive charged surface: 377.651  Negative charged surface: 71.0892  Volume: 213.625
  Hydrophobic surface: 362.962  Hydrophilic surface: 85.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03508308
PUBCHEM-ZINC06039173