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APOLLO-ZINC02144663

 MMsINC code: MMs00050321
Type: Neutral
Formula: C9H17Cl3NO5P
SMILES:   ClC(Cl)(Cl)C(P(OC)(OC)=O)OC(=O)NCCCC
InChI:   InChI=1/C9H17Cl3NO5P/c1-4-5-6-13-8(14)18-7(9(10,11)12)19(15,16-2)17-3/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=16.2131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.57 g/mol  logS: -3.19346  SlogP: 3.0446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682066  Sterimol/B1: 3.5213  Sterimol/B2: 3.77176  Sterimol/B3: 4.06494
  Sterimol/B4: 6.73788  Sterimol/L: 16.062 
 
 Surface and Volume Properties
  Accessible surface: 550.589  Positive charged surface: 336.73  Negative charged surface: 213.859  Volume: 284.25
  Hydrophobic surface: 317.172  Hydrophilic surface: 233.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.