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CHEMBRIDGE-ZINC02880576

 MMsINC code: MMs00733592
Type: Neutral
Formula: C15H25NO2
SMILES:   O(CCCCN(CC)CC)c1ccccc1OC
InChI:   InChI=1/C15H25NO2/c1-4-16(5-2)12-8-9-13-18-15-11-7-6-10-14(15)17-3/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.0997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -2.44149  SlogP: 3.196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396314  Sterimol/B1: 2.3493  Sterimol/B2: 2.96879  Sterimol/B3: 4.79853
  Sterimol/B4: 6.6253  Sterimol/L: 15.9574 
 
 Surface and Volume Properties
  Accessible surface: 558.433  Positive charged surface: 427.628  Negative charged surface: 130.804  Volume: 277.75
  Hydrophobic surface: 498.262  Hydrophilic surface: 60.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00733593
CHEMBRIDGE-ZINC02880576