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PUBCHEM-ZINC05711905

 MMsINC code: MMs03355538
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(=O)C)C1CN2C(C(O)C1O)C(O)CC2
InChI:   InChI=1/C10H17NO5/c1-5(12)16-7-4-11-3-2-6(13)8(11)10(15)9(7)14/h6-10,13-15H,2-4H2,1H3/t6-,7-,8+,9+,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: 0.20421  SlogP: -1.9113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969431  Sterimol/B1: 3.18506  Sterimol/B2: 3.27922  Sterimol/B3: 3.43636
  Sterimol/B4: 5.11653  Sterimol/L: 12.5156 
 
 Surface and Volume Properties
  Accessible surface: 426.781  Positive charged surface: 330.215  Negative charged surface: 96.5668  Volume: 209.125
  Hydrophobic surface: 276.159  Hydrophilic surface: 150.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03355539
PUBCHEM-ZINC05711905