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AURORAFEINCHEMIE-ZINC00542713

 MMsINC code: MMs00447545
Type: Ionized
Formula: C18H19N2O5-
SMILES:   O(C)c1cc(NC(=O)NC(Cc2ccccc2)C(=O)[O-])cc(OC)c1
InChI:   InChI=1/C18H20N2O5/c1-24-14-9-13(10-15(11-14)25-2)19-18(23)20-16(17(21)22)8-12-6-4-3-5-7-12/h3-7,9-11,16H,8H2,1-2H3,(H,21,22)(H2,19,20,23)/p-1/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.7561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.359 g/mol  logS: -3.61461  SlogP: 1.18647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850437  Sterimol/B1: 2.5027  Sterimol/B2: 2.9839  Sterimol/B3: 5.50786
  Sterimol/B4: 8.45639  Sterimol/L: 15.2006 
 
 Surface and Volume Properties
  Accessible surface: 609.922  Positive charged surface: 403.401  Negative charged surface: 206.521  Volume: 325.375
  Hydrophobic surface: 464.629  Hydrophilic surface: 145.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs00447544
AURORAFEINCHEMIE-ZINC00542713