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CHEMBRIDGE-ZINC02932508

 MMsINC code: MMs00742275
Type: Neutral
Formula: C16H25NO2
SMILES:   O1CCN(CC1)CCCOc1ccccc1C(C)C
InChI:   InChI=1/C16H25NO2/c1-14(2)15-6-3-4-7-16(15)19-11-5-8-17-9-12-18-13-10-17/h3-4,6-7,14H,5,8-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -3.01731  SlogP: 2.9111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527217  Sterimol/B1: 2.33565  Sterimol/B2: 2.88463  Sterimol/B3: 4.8762
  Sterimol/B4: 7.1633  Sterimol/L: 15.7317 
 
 Surface and Volume Properties
  Accessible surface: 551.274  Positive charged surface: 430.259  Negative charged surface: 121.015  Volume: 283.875
  Hydrophobic surface: 495.666  Hydrophilic surface: 55.608
 
 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


MMs00742276
CHEMBRIDGE-ZINC02932508