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PUBCHEM-ZINC02772607

 MMsINC code: MMs02921748
Type: Neutral
Formula: C11H19NO3
SMILES:   O(C(=O)C(=O)N1CC(CC(C1)C)C)CC
InChI:   InChI=1/C11H19NO3/c1-4-15-11(14)10(13)12-6-8(2)5-9(3)7-12/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.55019  SlogP: 1.054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097517  Sterimol/B1: 3.08739  Sterimol/B2: 3.99518  Sterimol/B3: 4.00937
  Sterimol/B4: 4.8229  Sterimol/L: 13.2085 
 
 Surface and Volume Properties
  Accessible surface: 446.434  Positive charged surface: 330.131  Negative charged surface: 116.303  Volume: 216.875
  Hydrophobic surface: 315.273  Hydrophilic surface: 131.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.