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ACDBLOCKS-ZINC02599117

 MMsINC code: MMs00001197
Type: Neutral
Formula: C10H23NO
SMILES:   OCC(N)(CCCC)CCCC
InChI:   InChI=1/C10H23NO/c1-3-5-7-10(11,9-12)8-6-4-2/h12H,3-9,11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.4896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -2.1982  SlogP: 2.0566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896513  Sterimol/B1: 2.94087  Sterimol/B2: 3.24578  Sterimol/B3: 3.25974
  Sterimol/B4: 4.59898  Sterimol/L: 14.74 
 
 Surface and Volume Properties
  Accessible surface: 429.488  Positive charged surface: 344.043  Negative charged surface: 85.4452  Volume: 206.125
  Hydrophobic surface: 299.519  Hydrophilic surface: 129.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00001198
ACDBLOCKS-ZINC02599117