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NCID-ZINC04769031

 MMsINC code: MMs02401762
Type: Neutral
Formula: C10H20ClNO5
SMILES:   ClCCN(CC(O)C(O)C(O)C(O)C=O)CC
InChI:   InChI=1/C10H20ClNO5/c1-2-12(4-3-11)5-7(14)9(16)10(17)8(15)6-13/h6-10,14-17H,2-5H2,1H3/t7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=92.7023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.725 g/mol  logS: 0.19669  SlogP: -1.8104  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0782491  Sterimol/B1: 2.24282  Sterimol/B2: 2.51708  Sterimol/B3: 3.8835
  Sterimol/B4: 5.88108  Sterimol/L: 15.6669 
 
 Surface and Volume Properties
  Accessible surface: 482.598  Positive charged surface: 298.639  Negative charged surface: 183.959  Volume: 242
  Hydrophobic surface: 202.026  Hydrophilic surface: 280.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02401763
NCID-ZINC04769031