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NCID-ZINC01677396

 MMsINC code: MMs02312385
Type: Neutral
Formula: C10H21NO2
SMILES:   OC(=O)CN(CCCC)CCCC
InChI:   InChI=1/C10H21NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-9H2,1-2H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.57267  SlogP: 1.9732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851229  Sterimol/B1: 2.60564  Sterimol/B2: 2.9122  Sterimol/B3: 3.53108
  Sterimol/B4: 7.72137  Sterimol/L: 13.2751 
 
 Surface and Volume Properties
  Accessible surface: 447.143  Positive charged surface: 338.019  Negative charged surface: 109.124  Volume: 210.25
  Hydrophobic surface: 308.298  Hydrophilic surface: 138.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.