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ASINEX-ZINC03012944

 MMsINC code: MMs00283424
Type: Neutral
Formula: C9H17Cl3NO5P
SMILES:   ClC(Cl)(Cl)C(P(OCC)(OCC)=O)NC(OCC)=O
InChI:   InChI=1/C9H17Cl3NO5P/c1-4-16-8(14)13-7(9(10,11)12)19(15,17-5-2)18-6-3/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.57 g/mol  logS: -3.13089  SlogP: 3.0446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123132  Sterimol/B1: 3.04929  Sterimol/B2: 5.02143  Sterimol/B3: 5.07975
  Sterimol/B4: 5.64636  Sterimol/L: 15.3211 
 
 Surface and Volume Properties
  Accessible surface: 551.379  Positive charged surface: 302.975  Negative charged surface: 248.404  Volume: 285.125
  Hydrophobic surface: 284.326  Hydrophilic surface: 267.053
 
 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.