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ENAMINE-ZINC01840572

 MMsINC code: MMs01245021
Type: Neutral
Formula: C12H10Cl2NO3P
SMILES:   Clc1ccc(OP(Oc2ccc(Cl)cc2)(=O)N)cc1
InChI:   InChI=1/C12H10Cl2NO3P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H2,15,16)

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Potential Energy
Epot(MMFF94)=25.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.096 g/mol  logS: -4.57004  SlogP: 3.4478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046703  Sterimol/B1: 2.69809  Sterimol/B2: 2.70718  Sterimol/B3: 4.14196
  Sterimol/B4: 5.12261  Sterimol/L: 16.6497 
 
 Surface and Volume Properties
  Accessible surface: 507.214  Positive charged surface: 201.391  Negative charged surface: 305.823  Volume: 257.25
  Hydrophobic surface: 418.442  Hydrophilic surface: 88.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.