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CHEMBRIDGE-ZINC02933313

 MMsINC code: MMs00742447
Type: Neutral
Formula: C15H23NO3
SMILES:   O1CCN(CC1)CCCOc1ccccc1OCC
InChI:   InChI=1/C15H23NO3/c1-2-18-14-6-3-4-7-15(14)19-11-5-8-16-9-12-17-13-10-16/h3-4,6-7H,2,5,8-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -2.20399  SlogP: 2.1864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319023  Sterimol/B1: 1.9745  Sterimol/B2: 2.77235  Sterimol/B3: 3.55506
  Sterimol/B4: 8.82684  Sterimol/L: 15.6745 
 
 Surface and Volume Properties
  Accessible surface: 551.05  Positive charged surface: 434.569  Negative charged surface: 116.481  Volume: 274.5
  Hydrophobic surface: 501.125  Hydrophilic surface: 49.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00742448
CHEMBRIDGE-ZINC02933313