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PUBCHEM-ZINC03617473

 MMsINC code: MMs03023497
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(N(C)C)C(CCC)CCC
InChI:   InChI=1/C10H21NO/c1-5-7-9(8-6-2)10(12)11(3)4/h9H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.1289  SlogP: 2.291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173878  Sterimol/B1: 2.46165  Sterimol/B2: 3.10652  Sterimol/B3: 3.70844
  Sterimol/B4: 8.21176  Sterimol/L: 11.4696 
 
 Surface and Volume Properties
  Accessible surface: 423.48  Positive charged surface: 342.932  Negative charged surface: 80.5481  Volume: 203
  Hydrophobic surface: 358.043  Hydrophilic surface: 65.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.