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NCID-ZINC01595532

 MMsINC code: MMs02249808
Type: Neutral
Formula: C11H22BrNO
SMILES:   BrCCCCCCCCCCC(=O)N
InChI:   InChI=1/C11H22BrNO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H2,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.702498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.207 g/mol  logS: -4.02596  SlogP: 3.3775  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0221931  Sterimol/B1: 2.37498  Sterimol/B2: 2.37579  Sterimol/B3: 2.46347
  Sterimol/B4: 3.85967  Sterimol/L: 19.561 
 
 Surface and Volume Properties
  Accessible surface: 518.548  Positive charged surface: 351.622  Negative charged surface: 166.926  Volume: 243.625
  Hydrophobic surface: 314.059  Hydrophilic surface: 204.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.