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PUBCHEM-ZINC00310029

 MMsINC code: MMs02652474
Type: Neutral
Formula: C19H15NO3
SMILES:   OC(=O)c1ccc(NC(=O)Cc2c3c(ccc2)cccc3)cc1
InChI:   InChI=1/C19H15NO3/c21-18(20-16-10-8-14(9-11-16)19(22)23)12-15-6-3-5-13-4-1-2-7-17(13)15/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)=88.3038 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: 0.092993  Sterimol/B1: 2.4521  Sterimol/B2: 3.07619  Sterimol/B3: 4.57593
  Sterimol/B4: 7.0011  Sterimol/L: 15.7606 
 
 Surface and Volume Properties
  Accessible surface: 544.248  Positive charged surface: 303.251  Negative charged surface: 232.098  Volume: 291
  Hydrophobic surface: 411.578  Hydrophilic surface: 132.67
 
 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


MMs02652475
PUBCHEM-ZINC00310029