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SIAL-ZINC04521356

 MMsINC code: MMs03916570
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(O)(CN2CCOCC2)C(O)C(O)C1CO
InChI:   InChI=1/C10H19NO6/c12-5-7-8(13)9(14)10(15,17-7)6-11-1-3-16-4-2-11/h7-9,12-15H,1-6H2/t7-,8-,9+,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.68281  SlogP: -2.8799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101794  Sterimol/B1: 2.57488  Sterimol/B2: 3.62353  Sterimol/B3: 4.13751
  Sterimol/B4: 6.01656  Sterimol/L: 12.8279 
 
 Surface and Volume Properties
  Accessible surface: 443.079  Positive charged surface: 368.948  Negative charged surface: 74.1302  Volume: 224.125
  Hydrophobic surface: 262.791  Hydrophilic surface: 180.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs03916571
SIAL-ZINC04521356