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CHEMDIV-ZINC06737321

 MMsINC code: MMs01005537
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)c1ncccc1C(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C15H14N2O3/c1-9-5-6-12(10(2)8-9)17-14(18)11-4-3-7-16-13(11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.3585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -2.85344  SlogP: 2.64894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118903  Sterimol/B1: 3.12873  Sterimol/B2: 4.28053  Sterimol/B3: 4.39617
  Sterimol/B4: 4.9912  Sterimol/L: 15.1591 
 
 Surface and Volume Properties
  Accessible surface: 504.41  Positive charged surface: 310.779  Negative charged surface: 193.631  Volume: 255.125
  Hydrophobic surface: 376.277  Hydrophilic surface: 128.133
 
 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


MMs01005538
CHEMDIV-ZINC06737321