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NCID-ZINC04692118

 MMsINC code: MMs02393738
Type: Neutral
Formula: C11H21NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)CCCC)C1O
InChI:   InChI=1/C11H21NO6/c1-2-3-4-7(14)12-8-10(16)9(15)6(5-13)18-11(8)17/h6,8-11,13,15-17H,2-5H2,1H3,(H,12,14)/t6-,8-,9+,10-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.29 g/mol  logS: -0.36473  SlogP: -1.9073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501997  Sterimol/B1: 2.90011  Sterimol/B2: 3.59991  Sterimol/B3: 3.66986
  Sterimol/B4: 5.27857  Sterimol/L: 16.5236 
 
 Surface and Volume Properties
  Accessible surface: 500.255  Positive charged surface: 386.389  Negative charged surface: 113.867  Volume: 242.625
  Hydrophobic surface: 263.086  Hydrophilic surface: 237.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.