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CHEMBRIDGE-ZINC01801899

 MMsINC code: MMs00698261
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C1NC(CCC1)C)CCCC
InChI:   InChI=1/C11H21NO2/c1-3-4-8-14-11(13)10-7-5-6-9(2)12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=21.988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.89121  SlogP: 1.8603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418918  Sterimol/B1: 2.62432  Sterimol/B2: 3.38069  Sterimol/B3: 4.06736
  Sterimol/B4: 4.22257  Sterimol/L: 15.6626 
 
 Surface and Volume Properties
  Accessible surface: 461.323  Positive charged surface: 360.524  Negative charged surface: 100.799  Volume: 217.25
  Hydrophobic surface: 367.306  Hydrophilic surface: 94.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00698262
CHEMBRIDGE-ZINC01801899