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PUBCHEM-ZINC02036138

 MMsINC code: MMs02861223
Type: Neutral
Formula: C18H18N2O4
SMILES:   OC(=O)C(NC(=O)CNC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C18H18N2O4/c21-16(12-19-17(22)14-9-5-2-6-10-14)20-15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,22)(H,20,21)(H,23,24)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.0562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.352 g/mol  logS: -3.52879  SlogP: 1.22847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903756  Sterimol/B1: 2.5328  Sterimol/B2: 3.42767  Sterimol/B3: 4.51404
  Sterimol/B4: 9.24346  Sterimol/L: 15.9323 
 
 Surface and Volume Properties
  Accessible surface: 595.675  Positive charged surface: 330.197  Negative charged surface: 265.478  Volume: 308.625
  Hydrophobic surface: 429.187  Hydrophilic surface: 166.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02861224
PUBCHEM-ZINC02036138