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MAYBRIDGE-ZINC04271698

 MMsINC code: MMs02162648
Type: Neutral
Formula: C11H15NO2
SMILES:   O1CCN(CC1)c1cc(ccc1)CO
InChI:   InChI=1/C11H15NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -1.37479  SlogP: 1.2819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579052  Sterimol/B1: 2.51413  Sterimol/B2: 2.71932  Sterimol/B3: 3.21286
  Sterimol/B4: 6.2428  Sterimol/L: 11.8344 
 
 Surface and Volume Properties
  Accessible surface: 405.793  Positive charged surface: 308.681  Negative charged surface: 97.1117  Volume: 194.25
  Hydrophobic surface: 315.445  Hydrophilic surface: 90.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.