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CHEMBRIDGE-ZINC04841587

 MMsINC code: MMs00798807
Type: Neutral
Formula: C18H19NO4
SMILES:   O(CC(=O)NC(C)c1ccccc1)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C18H19NO4/c1-13(14-6-4-3-5-7-14)19-17(20)12-23-16-10-8-15(9-11-16)18(21)22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.9643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.353 g/mol  logS: -4.08467  SlogP: 2.8249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286131  Sterimol/B1: 2.28305  Sterimol/B2: 2.8569  Sterimol/B3: 4.91365
  Sterimol/B4: 6.41619  Sterimol/L: 19.1703 
 
 Surface and Volume Properties
  Accessible surface: 604.964  Positive charged surface: 378.02  Negative charged surface: 226.945  Volume: 308.625
  Hydrophobic surface: 496.112  Hydrophilic surface: 108.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.