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ASINEX-ZINC02643602

 MMsINC code: MMs00275904
Type: Neutral
Formula: C10H20N2O4
SMILES:   OCC(NC(=O)C(=O)NC(CC)CO)CC
InChI:   InChI=1/C10H20N2O4/c1-3-7(5-13)11-9(15)10(16)12-8(4-2)6-14/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.58856  SlogP: -1.2394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078491  Sterimol/B1: 2.02002  Sterimol/B2: 2.74386  Sterimol/B3: 3.95515
  Sterimol/B4: 6.49314  Sterimol/L: 13.2401 
 
 Surface and Volume Properties
  Accessible surface: 484.374  Positive charged surface: 362.198  Negative charged surface: 122.176  Volume: 230.25
  Hydrophobic surface: 276.282  Hydrophilic surface: 208.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.