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CHEMDIV-ZINC00298829

 MMsINC code: MMs00849254
Type: Neutral
Formula: C16H13NO4
SMILES:   OC(=O)c1ccccc1C(=O)NCC(=O)c1ccccc1
InChI:   InChI=1/C16H13NO4/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(20)21/h1-9H,10H2,(H,17,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.2579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.283 g/mol  logS: -3.59966  SlogP: 1.9975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341911  Sterimol/B1: 2.9236  Sterimol/B2: 3.08407  Sterimol/B3: 4.76294
  Sterimol/B4: 4.84793  Sterimol/L: 16.4763 
 
 Surface and Volume Properties
  Accessible surface: 512.524  Positive charged surface: 282.548  Negative charged surface: 229.976  Volume: 261
  Hydrophobic surface: 359.13  Hydrophilic surface: 153.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00849255
CHEMDIV-ZINC00298829