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APOLLO-ZINC02562023

 MMsINC code: MMs00053913
Type: Neutral
Formula: C10H12N2O3
SMILES:   O(CC(=O)N)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C10H12N2O3/c1-7(13)12-8-2-4-9(5-3-8)15-6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.217 g/mol  logS: -1.92327  SlogP: 0.5091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145545  Sterimol/B1: 2.38579  Sterimol/B2: 2.67343  Sterimol/B3: 3.4659
  Sterimol/B4: 4.26978  Sterimol/L: 15.4574 
 
 Surface and Volume Properties
  Accessible surface: 427.537  Positive charged surface: 267.339  Negative charged surface: 160.198  Volume: 195.125
  Hydrophobic surface: 252.663  Hydrophilic surface: 174.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.