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ASINEX-ZINC03894529

 MMsINC code: MMs00292302
Type: Neutral
Formula: C10H12N2O4
SMILES:   O=C1N(CCC1)C(=O)C(=O)N1CCCC1=O
InChI:   InChI=1/C10H12N2O4/c13-7-3-1-5-11(7)9(15)10(16)12-6-2-4-8(12)14/h1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.216 g/mol  logS: -0.96338  SlogP: -0.7156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15044  Sterimol/B1: 2.12161  Sterimol/B2: 3.61757  Sterimol/B3: 3.8108
  Sterimol/B4: 5.58799  Sterimol/L: 12.0347 
 
 Surface and Volume Properties
  Accessible surface: 410.407  Positive charged surface: 263.048  Negative charged surface: 147.359  Volume: 196.875
  Hydrophobic surface: 275.214  Hydrophilic surface: 135.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.