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NCID-ZINC01648331

 MMsINC code: MMs02288499
Type: Neutral
Formula: C7H7Cl3NO2PS
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(=S)(OC)N
InChI:   InChI=1/C7H7Cl3NO2PS/c1-12-14(11,15)13-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3,(H2,11,15)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=18.4687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.537 g/mol  logS: -4.85553  SlogP: 3.8552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523714  Sterimol/B1: 2.81588  Sterimol/B2: 3.73299  Sterimol/B3: 4.91355
  Sterimol/B4: 5.15403  Sterimol/L: 13.5715 
 
 Surface and Volume Properties
  Accessible surface: 440.65  Positive charged surface: 157.384  Negative charged surface: 283.266  Volume: 222.25
  Hydrophobic surface: 332.636  Hydrophilic surface: 108.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.