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CHEMBRIDGE-ZINC00610255

 MMsINC code: MMs00633273
Type: Neutral
Formula: C17H18N2O5
SMILES:   O(C)c1cc(OC)ccc1NC(=O)NCc1ccc(cc1)C(O)=O
InChI:   InChI=1/C17H18N2O5/c1-23-13-7-8-14(15(9-13)24-2)19-17(22)18-10-11-3-5-12(6-4-11)16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.34 g/mol  logS: -3.26625  SlogP: 2.9901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03023  Sterimol/B1: 2.00118  Sterimol/B2: 3.57337  Sterimol/B3: 3.61756
  Sterimol/B4: 7.93206  Sterimol/L: 19.828 
 
 Surface and Volume Properties
  Accessible surface: 604.881  Positive charged surface: 423.502  Negative charged surface: 181.379  Volume: 306.875
  Hydrophobic surface: 423.961  Hydrophilic surface: 180.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00633274
CHEMBRIDGE-ZINC00610255