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CHEMBRIDGE-ZINC02856703

 MMsINC code: MMs00727682
Type: Neutral
Formula: C19H24N2O4
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(=O)NCCCOCC
InChI:   InChI=1/C19H24N2O4/c1-2-24-12-7-11-20-18(22)16(14-15-8-4-3-5-9-15)21-19(23)17-10-6-13-25-17/h3-6,8-10,13,16H,2,7,11-12,14H2,1H3,(H,20,22)(H,21,23)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.4403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -3.95614  SlogP: 2.16347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310078  Sterimol/B1: 3.28655  Sterimol/B2: 3.32923  Sterimol/B3: 6.19079
  Sterimol/B4: 6.67583  Sterimol/L: 18.6493 
 
 Surface and Volume Properties
  Accessible surface: 662.867  Positive charged surface: 430.05  Negative charged surface: 232.816  Volume: 342.75
  Hydrophobic surface: 561.225  Hydrophilic surface: 101.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.