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PUBCHEM-ZINC04762735

 MMsINC code: MMs03167804
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)CCCC)CCC
InChI:   InChI=1/C11H22N2O3/c1-3-5-7-8(12)10(14)13-9(6-4-2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -2.05393  SlogP: 0.8734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573375  Sterimol/B1: 2.57222  Sterimol/B2: 3.43269  Sterimol/B3: 4.17763
  Sterimol/B4: 5.85803  Sterimol/L: 13.8238 
 
 Surface and Volume Properties
  Accessible surface: 495.322  Positive charged surface: 348.671  Negative charged surface: 146.651  Volume: 237.875
  Hydrophobic surface: 276.593  Hydrophilic surface: 218.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.