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MAYBRIDGE-ZINC00001270

 MMsINC code: MMs02126473
Type: Neutral
Formula: C10H11NO3
SMILES:   O(C(=O)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.0046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.202 g/mol  logS: -1.94785  SlogP: 1.5703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265167  Sterimol/B1: 2.62293  Sterimol/B2: 3.0604  Sterimol/B3: 3.14018
  Sterimol/B4: 4.26698  Sterimol/L: 13.9836 
 
 Surface and Volume Properties
  Accessible surface: 407.742  Positive charged surface: 239.258  Negative charged surface: 168.484  Volume: 185.25
  Hydrophobic surface: 313.873  Hydrophilic surface: 93.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.