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CHEMSTAR-ZINC03159810

 MMsINC code: MMs01084906
Type: Neutral
Formula: C11H14N2O4
SMILES:   O(CC(=O)NCC(=O)N)c1cc(OC)ccc1
InChI:   InChI=1/C11H14N2O4/c1-16-8-3-2-4-9(5-8)17-7-11(15)13-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.243 g/mol  logS: -1.93677  SlogP: -0.3245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00781125  Sterimol/B1: 2.37425  Sterimol/B2: 2.37817  Sterimol/B3: 2.88111
  Sterimol/B4: 4.97957  Sterimol/L: 17.547 
 
 Surface and Volume Properties
  Accessible surface: 479.08  Positive charged surface: 332.234  Negative charged surface: 146.846  Volume: 220.125
  Hydrophobic surface: 294.165  Hydrophilic surface: 184.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.