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NCID-ZINC05201842

 MMsINC code: MMs02447719
Type: Neutral
Formula: C10H23NO8
SMILES:   OC(C(O)C(O)CO)C(O)CNC(CO)(CO)CO
InChI:   InChI=1/C10H23NO8/c12-2-7(17)9(19)8(18)6(16)1-11-10(3-13,4-14)5-15/h6-9,11-19H,1-5H2/t6-,7+,8-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.293 g/mol  logS: 2.26284  SlogP: -5.2724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669604  Sterimol/B1: 3.1612  Sterimol/B2: 3.4473  Sterimol/B3: 4.38805
  Sterimol/B4: 4.56575  Sterimol/L: 16.4691 
 
 Surface and Volume Properties
  Accessible surface: 503.618  Positive charged surface: 397.096  Negative charged surface: 106.523  Volume: 255.125
  Hydrophobic surface: 186.917  Hydrophilic surface: 316.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 9  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02447720
NCID-ZINC05201842