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NCID-ZINC01708346

 MMsINC code: MMs02336190
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)C(N)(C)C1CCCC1
InChI:   InChI=1/C8H15NO2/c1-8(9,7(10)11)6-4-2-3-5-6/h6H,2-5,9H2,1H3,(H,10,11)/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.6066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.2641  SlogP: 0.9786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226331  Sterimol/B1: 2.32469  Sterimol/B2: 2.64969  Sterimol/B3: 4.00712
  Sterimol/B4: 5.11647  Sterimol/L: 9.62672 
 
 Surface and Volume Properties
  Accessible surface: 340.295  Positive charged surface: 240.44  Negative charged surface: 99.8547  Volume: 159.5
  Hydrophobic surface: 206.945  Hydrophilic surface: 133.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.