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ASINEX-ZINC04917931

 MMsINC code: MMs00404523
Type: Neutral
Formula: C16H23NO3
SMILES:   O(C)c1cc(ccc1OC)C(=O)CCN1CCCCC1
InChI:   InChI=1/C16H23NO3/c1-19-15-7-6-13(12-16(15)20-2)14(18)8-11-17-9-4-3-5-10-17/h6-7,12H,3-5,8-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.1617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.364 g/mol  logS: -2.32451  SlogP: 2.7625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309336  Sterimol/B1: 1.969  Sterimol/B2: 3.00867  Sterimol/B3: 3.41061
  Sterimol/B4: 7.53396  Sterimol/L: 16.2336 
 
 Surface and Volume Properties
  Accessible surface: 552.051  Positive charged surface: 445.431  Negative charged surface: 106.619  Volume: 283.875
  Hydrophobic surface: 500.199  Hydrophilic surface: 51.852
 
 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


MMs00404524
ASINEX-ZINC04917931