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PUBCHEM-ZINC01845211

 MMsINC code: MMs02823647
Type: Neutral
Formula: C24H23NO4
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CC(NC(=O)Cc1ccccc1)C(O)=O
InChI:   InChI=1/C24H23NO4/c26-23(16-18-7-3-1-4-8-18)25-22(24(27)28)15-19-11-13-21(14-12-19)29-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26)(H,27,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.451 g/mol  logS: -5.23597  SlogP: 3.88654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517754  Sterimol/B1: 2.33692  Sterimol/B2: 2.55569  Sterimol/B3: 4.61969
  Sterimol/B4: 10.3196  Sterimol/L: 18.7969 
 
 Surface and Volume Properties
  Accessible surface: 709.908  Positive charged surface: 406.572  Negative charged surface: 303.335  Volume: 383.25
  Hydrophobic surface: 588.202  Hydrophilic surface: 121.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02823648
PUBCHEM-ZINC01845211