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ACROSORGANICS-ZINC02572716

 MMsINC code: MMs00014702
Type: Neutral
Formula: C11H23NO2
SMILES:   O(C(C)(C)C)C(=O)CC(N)CC(C)C
InChI:   InChI=1/C11H23NO2/c1-8(2)6-9(12)7-10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -2.11304  SlogP: 2.0916  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0866731  Sterimol/B1: 2.76112  Sterimol/B2: 3.1775  Sterimol/B3: 3.76099
  Sterimol/B4: 4.00193  Sterimol/L: 14.5717 
 
 Surface and Volume Properties
  Accessible surface: 458.874  Positive charged surface: 336.839  Negative charged surface: 122.034  Volume: 224.75
  Hydrophobic surface: 308.661  Hydrophilic surface: 150.213
 
 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


MMs00014703
ACROSORGANICS-ZINC02572716