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CHEMBRIDGE-ZINC02994018

 MMsINC code: MMs00747853
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(C)C)CCCNC(=O)C(=O)NC(C)C
InChI:   InChI=1/C11H22N2O3/c1-8(2)13-11(15)10(14)12-6-5-7-16-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.58893  SlogP: 0.4423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036359  Sterimol/B1: 2.13778  Sterimol/B2: 3.06929  Sterimol/B3: 3.36804
  Sterimol/B4: 4.90015  Sterimol/L: 18.0274 
 
 Surface and Volume Properties
  Accessible surface: 530.149  Positive charged surface: 383.786  Negative charged surface: 146.364  Volume: 243.5
  Hydrophobic surface: 339.173  Hydrophilic surface: 190.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.