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PUBCHEM-ZINC06267170

 MMsINC code: MMs03648306
Type: Neutral
Formula: C18H20N2O3
SMILES:   OC(=O)C(NC(=O)NCC(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C18H20N2O3/c1-13(17(21)22)20-18(23)19-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.6206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -3.39921  SlogP: 2.5908  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105344  Sterimol/B1: 2.39549  Sterimol/B2: 3.44119  Sterimol/B3: 4.30907
  Sterimol/B4: 8.31961  Sterimol/L: 16.2903 
 
 Surface and Volume Properties
  Accessible surface: 585.882  Positive charged surface: 348.974  Negative charged surface: 236.909  Volume: 305.625
  Hydrophobic surface: 417.416  Hydrophilic surface: 168.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03648307
PUBCHEM-ZINC06267170