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PUBCHEM-ZINC06814146

 MMsINC code: MMs03864698
Type: Ionized
Formula: C19H20NO4-
SMILES:   O(c1cc(ccc1C)C)c1ccc(NC(=O)CCCC(=O)[O-])cc1
InChI:   InChI=1/C19H21NO4/c1-13-6-7-14(2)17(12-13)24-16-10-8-15(9-11-16)20-18(21)4-3-5-19(22)23/h6-12H,3-5H2,1-2H3,(H,20,21)(H,22,23)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.372 g/mol  logS: -4.22597  SlogP: 2.95444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699496  Sterimol/B1: 2.08935  Sterimol/B2: 3.24873  Sterimol/B3: 4.86514
  Sterimol/B4: 7.61219  Sterimol/L: 18.9591 
 
 Surface and Volume Properties
  Accessible surface: 617.838  Positive charged surface: 369.348  Negative charged surface: 248.49  Volume: 318.5
  Hydrophobic surface: 474.489  Hydrophilic surface: 143.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03864697
PUBCHEM-ZINC06814146