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NCID-ZINC04778032

 MMsINC code: MMs02405229
Type: Neutral
Formula: C10H19Cl2NO5
SMILES:   ClCCN(CC1OC(O)C(O)C(O)C1O)CCCl
InChI:   InChI=1/C10H19Cl2NO5/c11-1-3-13(4-2-12)5-6-7(14)8(15)9(16)10(17)18-6/h6-10,14-17H,1-5H2/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)=89.1213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.17 g/mol  logS: -0.38104  SlogP: -1.4341  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.219408  Sterimol/B1: 3.9297  Sterimol/B2: 3.94135  Sterimol/B3: 4.32964
  Sterimol/B4: 6.50095  Sterimol/L: 12.8426 
 
 Surface and Volume Properties
  Accessible surface: 503.477  Positive charged surface: 305.632  Negative charged surface: 197.845  Volume: 255
  Hydrophobic surface: 195.397  Hydrophilic surface: 308.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02405230
NCID-ZINC04778032