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NCID-ZINC05351578

 MMsINC code: MMs02454023
Type: Neutral
Formula: C11H20N2O5
SMILES:   O1C2C(OC(OC2)(C)C)C(NC(=O)NC)C1OC
InChI:   InChI=1/C11H20N2O5/c1-11(2)16-5-6-8(18-11)7(9(15-4)17-6)13-10(14)12-3/h6-9H,5H2,1-4H3,(H2,12,13,14)/t6-,7-,8+,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.2816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: -1.06368  SlogP: -0.1932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129146  Sterimol/B1: 2.67597  Sterimol/B2: 2.68055  Sterimol/B3: 4.67185
  Sterimol/B4: 6.79109  Sterimol/L: 13.8916 
 
 Surface and Volume Properties
  Accessible surface: 490.011  Positive charged surface: 408.198  Negative charged surface: 81.8137  Volume: 242.25
  Hydrophobic surface: 361.567  Hydrophilic surface: 128.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.