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CHEMBRIDGE-ZINC02901347

 MMsINC code: MMs00739098
Type: Neutral
Formula: C15H25NO
SMILES:   O(CCCCNCCCC)c1ccccc1C
InChI:   InChI=1/C15H25NO/c1-3-4-11-16-12-7-8-13-17-15-10-6-5-9-14(15)2/h5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.7771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.81041  SlogP: 3.54372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139052  Sterimol/B1: 2.38488  Sterimol/B2: 2.57601  Sterimol/B3: 4.14896
  Sterimol/B4: 4.65311  Sterimol/L: 19.5589 
 
 Surface and Volume Properties
  Accessible surface: 564.14  Positive charged surface: 421.676  Negative charged surface: 142.465  Volume: 271.125
  Hydrophobic surface: 520.873  Hydrophilic surface: 43.267
 
 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


MMs00739099
CHEMBRIDGE-ZINC02901347