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PUBCHEM-ZINC06412510

 MMsINC code: MMs03715676
Type: Neutral
Formula: C10H21NO5
SMILES:   O1C(CNC(CC)CO)C(O)C(O)C1CO
InChI:   InChI=1/C10H21NO5/c1-2-6(4-12)11-3-7-9(14)10(15)8(5-13)16-7/h6-15H,2-5H2,1H3/t6-,7-,8-,9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.28 g/mol  logS: 0.63222  SlogP: -2.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113134  Sterimol/B1: 2.40556  Sterimol/B2: 3.58594  Sterimol/B3: 4.15457
  Sterimol/B4: 6.00674  Sterimol/L: 12.4284 
 
 Surface and Volume Properties
  Accessible surface: 472.455  Positive charged surface: 366.553  Negative charged surface: 105.902  Volume: 227.625
  Hydrophobic surface: 242.948  Hydrophilic surface: 229.507
 
 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


MMs03715677
PUBCHEM-ZINC06412510