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PUBCHEM-ZINC02032256

 MMsINC code: MMs02859253
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(C(=O)N(C)C)C1CCCCC1
InChI:   InChI=1/C10H19NO2/c1-11(2)10(13)9(12)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.62895  SlogP: 1.0158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165928  Sterimol/B1: 2.50157  Sterimol/B2: 3.66095  Sterimol/B3: 4.17544
  Sterimol/B4: 5.0653  Sterimol/L: 11.428 
 
 Surface and Volume Properties
  Accessible surface: 386.143  Positive charged surface: 313.771  Negative charged surface: 72.372  Volume: 195.25
  Hydrophobic surface: 316.834  Hydrophilic surface: 69.309
 
 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: no related molecules available.