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NCID-ZINC05458954

 MMsINC code: MMs02463500
Type: Neutral
Formula: C10H19Cl2NO5
SMILES:   ClCCN(CC(O)C(O)C(O)C(O)C=O)CCCl
InChI:   InChI=1/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-7(15)9(17)10(18)8(16)6-14/h6-10,15-18H,1-5H2/t7-,8+,9-,10+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.17 g/mol  logS: -0.24138  SlogP: -1.5915  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10466  Sterimol/B1: 3.00594  Sterimol/B2: 3.94884  Sterimol/B3: 4.32237
  Sterimol/B4: 6.46218  Sterimol/L: 14.6607 
 
 Surface and Volume Properties
  Accessible surface: 511.232  Positive charged surface: 281.276  Negative charged surface: 229.956  Volume: 260
  Hydrophobic surface: 184.76  Hydrophilic surface: 326.472
 
 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: no related molecules available.