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PUBCHEM-ZINC02878950

 MMsINC code: MMs02951586
Type: Neutral
Formula: C19H15NO3
SMILES:   OC(=O)c1cc(NC(=O)Cc2c3c(ccc2)cccc3)ccc1
InChI:   InChI=1/C19H15NO3/c21-18(20-16-9-4-8-15(11-16)19(22)23)12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2,(H,20,21)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.5046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.333 g/mol  logS: -5.26362  SlogP: 3.71917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112086  Sterimol/B1: 2.75281  Sterimol/B2: 3.07436  Sterimol/B3: 5.01963
  Sterimol/B4: 6.85151  Sterimol/L: 14.118 
 
 Surface and Volume Properties
  Accessible surface: 545.374  Positive charged surface: 302.844  Negative charged surface: 233.632  Volume: 291.5
  Hydrophobic surface: 412.01  Hydrophilic surface: 133.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02951587
PUBCHEM-ZINC02878950