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ENAMINE-ZINC06786757

 MMsINC code: MMs01696782
Type: Neutral
Formula: C19H20N2O4
SMILES:   O=C1N(CCC(=O)Nc2ccc(cc2)C(=O)C)C(=O)C2C1CC=CC2
InChI:   InChI=1/C19H20N2O4/c1-12(22)13-6-8-14(9-7-13)20-17(23)10-11-21-18(24)15-4-2-3-5-16(15)19(21)25/h2-3,6-9,15-16H,4-5,10-11H2,1H3,(H,20,23)/t15-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -2.31535  SlogP: 2.169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314409  Sterimol/B1: 3.33302  Sterimol/B2: 3.52086  Sterimol/B3: 3.60414
  Sterimol/B4: 4.29948  Sterimol/L: 20.5147 
 
 Surface and Volume Properties
  Accessible surface: 606.398  Positive charged surface: 370.914  Negative charged surface: 235.484  Volume: 320.625
  Hydrophobic surface: 420.127  Hydrophilic surface: 186.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.