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ASINEX-ZINC00097718

MMsINC code: MMs00074309

Type: Neutral
Formula: C14H11NO3
SMILES:   OC(=O)c1ccccc1NC(=O)c1ccccc1
InChI:   InChI=1/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=68.3919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -3.32427  SlogP: 2.6371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186094  Sterimol/B1: 2.51635  Sterimol/B2: 2.56994  Sterimol/B3: 4.85433
  Sterimol/B4: 4.86768  Sterimol/L: 14.1018 
 
 Surface and Volume Properties
  Accessible surface: 448.16  Positive charged surface: 242.067  Negative charged surface: 206.093  Volume: 226.5
  Hydrophobic surface: 335.386  Hydrophilic surface: 112.774
 
 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


MMs00074310
ASINEX-ZINC00097718