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PUBCHEM-ZINC04762742

 MMsINC code: MMs03167805
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+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.983 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: 0.0581014  Sterimol/B1: 2.57261  Sterimol/B2: 3.43206  Sterimol/B3: 4.25269
  Sterimol/B4: 5.96234  Sterimol/L: 13.8459 
 
 Surface and Volume Properties
  Accessible surface: 498.977  Positive charged surface: 361.372  Negative charged surface: 137.605  Volume: 240.5
  Hydrophobic surface: 280.892  Hydrophilic surface: 218.085
 
 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.