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IBS-ZINC03882165

 MMsINC code: MMs01871694
Type: Neutral
Formula: C15H31BrO
SMILES:   BrCCCCCCCCCCCCCCCO
InChI:   InChI=1/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2

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Potential Energy
Epot(MMFF94)=2.85515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.316 g/mol  logS: -5.92559  SlogP: 5.4449  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0145839  Sterimol/B1: 2.37502  Sterimol/B2: 2.37598  Sterimol/B3: 2.38969
  Sterimol/B4: 3.02157  Sterimol/L: 24.5676 
 
 Surface and Volume Properties
  Accessible surface: 633.916  Positive charged surface: 468.682  Negative charged surface: 165.234  Volume: 314.75
  Hydrophobic surface: 484.16  Hydrophilic surface: 149.756
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.