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ENAMINE-ZINC06936931

 MMsINC code: MMs01713668
Type: Neutral
Formula: C15H20N2O3
SMILES:   O(C(=O)CNC(=O)NC1CCCc2c1cccc2)CC
InChI:   InChI=1/C15H20N2O3/c1-2-20-14(18)10-16-15(19)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13H,2,5,7,9-10H2,1H3,(H2,16,17,19)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.336 g/mol  logS: -3.00847  SlogP: 2.02177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0333827  Sterimol/B1: 3.14469  Sterimol/B2: 3.22767  Sterimol/B3: 4.90786
  Sterimol/B4: 5.04476  Sterimol/L: 17.2945 
 
 Surface and Volume Properties
  Accessible surface: 540.791  Positive charged surface: 374.379  Negative charged surface: 166.413  Volume: 270.875
  Hydrophobic surface: 412.655  Hydrophilic surface: 128.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.