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PUBCHEM-ZINC04775228

 MMsINC code: MMs03169560
Type: Neutral
Formula: C10H21NO6
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCCN(C)C
InChI:   InChI=1/C10H21NO6/c1-11(2)3-4-16-10-9(15)8(14)7(13)6(5-12)17-10/h6-10,12-15H,3-5H2,1-2H3/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)=88.0444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.279 g/mol  logS: 1.00688  SlogP: -2.6355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160151  Sterimol/B1: 2.71906  Sterimol/B2: 4.47972  Sterimol/B3: 4.79113
  Sterimol/B4: 5.70669  Sterimol/L: 12.2099 
 
 Surface and Volume Properties
  Accessible surface: 475.216  Positive charged surface: 420.156  Negative charged surface: 55.0601  Volume: 234.125
  Hydrophobic surface: 302.49  Hydrophilic surface: 172.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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


MMs03169561
PUBCHEM-ZINC04775228