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CHEMBRIDGE-ZINC03462054

 MMsINC code: MMs00753448
Type: Neutral
Formula: C15H25NO2
SMILES:   O(CCNCCOC)c1cc(cc(c1)C)C(C)C
InChI:   InChI=1/C15H25NO2/c1-12(2)14-9-13(3)10-15(11-14)18-8-6-16-5-7-17-4/h9-12,16H,5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -3.32312  SlogP: 2.73322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10978  Sterimol/B1: 2.07839  Sterimol/B2: 3.15901  Sterimol/B3: 5.14853
  Sterimol/B4: 8.29645  Sterimol/L: 14.9841 
 
 Surface and Volume Properties
  Accessible surface: 570.682  Positive charged surface: 459.614  Negative charged surface: 111.068  Volume: 279.875
  Hydrophobic surface: 506.607  Hydrophilic surface: 64.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00753449
CHEMBRIDGE-ZINC03462054