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PUBCHEM-ZINC05954722

 MMsINC code: MMs03458637
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(CC(CC)(COC(=O)N)C)C(=O)NCC
InChI:   InChI=1/C10H20N2O4/c1-4-10(3,6-15-8(11)13)7-16-9(14)12-5-2/h4-7H2,1-3H3,(H2,11,13)(H,12,14)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.44994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -1.64305  SlogP: 1.2441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789428  Sterimol/B1: 2.35466  Sterimol/B2: 2.96753  Sterimol/B3: 3.74812
  Sterimol/B4: 6.12716  Sterimol/L: 16.5659 
 
 Surface and Volume Properties
  Accessible surface: 482.984  Positive charged surface: 351.21  Negative charged surface: 131.774  Volume: 229.375
  Hydrophobic surface: 254.563  Hydrophilic surface: 228.421
 
 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.