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IBS-ZINC02407126

 MMsINC code: MMs01853962
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(=O)C(NC(=O)N(CCC)CCC)C)C
InChI:   InChI=1/C11H22N2O3/c1-5-7-13(8-6-2)11(15)12-9(3)10(14)16-4/h9H,5-8H2,1-4H3,(H,12,15)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.52456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.29168  SlogP: 1.3795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668411  Sterimol/B1: 2.65822  Sterimol/B2: 2.94657  Sterimol/B3: 3.46305
  Sterimol/B4: 7.73547  Sterimol/L: 14.9285 
 
 Surface and Volume Properties
  Accessible surface: 494.949  Positive charged surface: 377.504  Negative charged surface: 117.445  Volume: 242
  Hydrophobic surface: 373.209  Hydrophilic surface: 121.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.