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PUBCHEM-ZINC06762910

 MMsINC code: MMs03856338
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)C(NC(=O)NC(C)C)C(C)C)C
InChI:   InChI=1/C10H20N2O3/c1-6(2)8(9(13)15-5)12-10(14)11-7(3)4/h6-8H,1-5H3,(H2,11,12,14)/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.39767  SlogP: 0.8916  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104508  Sterimol/B1: 2.52204  Sterimol/B2: 2.77686  Sterimol/B3: 4.29063
  Sterimol/B4: 5.8996  Sterimol/L: 14.0544 
 
 Surface and Volume Properties
  Accessible surface: 463.895  Positive charged surface: 341.765  Negative charged surface: 122.13  Volume: 222.875
  Hydrophobic surface: 305.375  Hydrophilic surface: 158.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.