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NCID-ZINC01870383

 MMsINC code: MMs02376101
Type: Neutral
Formula: C10H10ClOP
SMILES:   ClC=1CCP(=O)(C=1)c1ccccc1
InChI:   InChI=1/C10H10ClOP/c11-9-6-7-13(12,8-9)10-4-2-1-3-5-10/h1-5,8H,6-7H2/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=39.6912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.616 g/mol  logS: -2.06028  SlogP: 2.1976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133978  Sterimol/B1: 3.4201  Sterimol/B2: 3.845  Sterimol/B3: 3.97114
  Sterimol/B4: 4.07578  Sterimol/L: 12.0507 
 
 Surface and Volume Properties
  Accessible surface: 398.56  Positive charged surface: 178.822  Negative charged surface: 219.738  Volume: 191.5
  Hydrophobic surface: 355.077  Hydrophilic surface: 43.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.