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NCID-ZINC05573849

 MMsINC code: MMs02476869
Type: Neutral
Formula: C15H20N2O9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1N1CCC(=O)NC1=O
InChI:   InChI=1/C15H20N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h10,12-14H,4-6H2,1-3H3,(H,16,21,22)/t10-,12+,13+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=43.3196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.33 g/mol  logS: -1.33521  SlogP: -0.9203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167483  Sterimol/B1: 2.20556  Sterimol/B2: 3.32367  Sterimol/B3: 4.36792
  Sterimol/B4: 9.18801  Sterimol/L: 13.9421 
 
 Surface and Volume Properties
  Accessible surface: 590.505  Positive charged surface: 377.76  Negative charged surface: 212.746  Volume: 316.375
  Hydrophobic surface: 389.691  Hydrophilic surface: 200.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.