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IBS-ZINC02427075

 MMsINC code: MMs01860512
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(=O)C1N(CCCC1)C(=O)N(C)C)CC
InChI:   InChI=1/C11H20N2O3/c1-4-16-10(14)9-7-5-6-8-13(9)11(15)12(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.11 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -0.88188  SlogP: 1.0856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903611  Sterimol/B1: 2.559  Sterimol/B2: 3.95179  Sterimol/B3: 5.34115
  Sterimol/B4: 5.57277  Sterimol/L: 12.332 
 
 Surface and Volume Properties
  Accessible surface: 455.372  Positive charged surface: 380.697  Negative charged surface: 74.6747  Volume: 226.375
  Hydrophobic surface: 391.151  Hydrophilic surface: 64.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.