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NCID-ZINC05458961

 MMsINC code: MMs02463501
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-/m1/s1

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Potential Energy
Epot(MMFF94)=101.882 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: 0.0777074  Sterimol/B1: 2.5939  Sterimol/B2: 3.52885  Sterimol/B3: 4.44681
  Sterimol/B4: 5.20377  Sterimol/L: 15.6533 
 
 Surface and Volume Properties
  Accessible surface: 511.291  Positive charged surface: 274.394  Negative charged surface: 236.896  Volume: 259.75
  Hydrophobic surface: 176.619  Hydrophilic surface: 334.672
 
 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.