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CHEMDIV-ZINC05199778

 MMsINC code: MMs00995108
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C)CC
InChI:   InChI=1/C19H20N2O4/c1-3-15(19(24)25)20-18(23)14-6-4-5-7-16(14)21-17(22)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.6207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.49974  SlogP: 2.84032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571862  Sterimol/B1: 2.4677  Sterimol/B2: 2.75481  Sterimol/B3: 4.51423
  Sterimol/B4: 9.13357  Sterimol/L: 16.3856 
 
 Surface and Volume Properties
  Accessible surface: 594.58  Positive charged surface: 349.073  Negative charged surface: 245.507  Volume: 321.875
  Hydrophobic surface: 441.111  Hydrophilic surface: 153.469
 
 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


MMs00995109
CHEMDIV-ZINC05199778