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NCID-ZINC01583310

 MMsINC code: MMs02240179
Type: Neutral
Formula: C16H24N2O9
SMILES:   O(C(=O)C)C1C(NC(=O)C)C(O)C(NC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H24N2O9/c1-6(19)17-11-13(24)12(18-7(2)20)15(26-9(4)22)16(27-10(5)23)14(11)25-8(3)21/h11-16,24H,1-5H3,(H,17,19)(H,18,20)/t11-,12+,13-,14-,15+,16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.8109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.373 g/mol  logS: -1.14329  SlogP: -1.8346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.335734  Sterimol/B1: 2.16892  Sterimol/B2: 4.1957  Sterimol/B3: 5.39091
  Sterimol/B4: 10.4345  Sterimol/L: 13.0602 
 
 Surface and Volume Properties
  Accessible surface: 604.251  Positive charged surface: 378.647  Negative charged surface: 225.604  Volume: 343.125
  Hydrophobic surface: 434.201  Hydrophilic surface: 170.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.