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BACHEM-ZINC02563351

 MMsINC code: MMs00484278
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC(=O)C(NC(=O)C)CCCCNC(=O)C
InChI:   InChI=1/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.9398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.55155  SlogP: -0.1179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042316  Sterimol/B1: 2.51727  Sterimol/B2: 3.37259  Sterimol/B3: 4.65585
  Sterimol/B4: 5.29583  Sterimol/L: 14.9225 
 
 Surface and Volume Properties
  Accessible surface: 491.85  Positive charged surface: 328.425  Negative charged surface: 163.425  Volume: 222.875
  Hydrophobic surface: 302.522  Hydrophilic surface: 189.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00484279
BACHEM-ZINC02563351