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PUBCHEM-ZINC05952854

 MMsINC code: MMs03457939
Type: Neutral
Formula: C11H21Cl3NO5P
SMILES:   ClC(Cl)(Cl)C(P(OC(C)C)(OC(C)C)=O)NC(OCC)=O
InChI:   InChI=1/C11H21Cl3NO5P/c1-6-18-10(16)15-9(11(12,13)14)21(17,19-7(2)3)20-8(4)5/h7-9H,6H2,1-5H3,(H,15,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=21.8781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.624 g/mol  logS: -3.78531  SlogP: 3.8216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106595  Sterimol/B1: 3.57267  Sterimol/B2: 4.01631  Sterimol/B3: 4.762
  Sterimol/B4: 6.87467  Sterimol/L: 15.1635 
 
 Surface and Volume Properties
  Accessible surface: 580.792  Positive charged surface: 305.745  Negative charged surface: 275.047  Volume: 319.125
  Hydrophobic surface: 289.906  Hydrophilic surface: 290.886
 
 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.