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NCID-ZINC01737328

 MMsINC code: MMs02358308
Type: Neutral
Formula: C13H19Cl2O3P
SMILES:   ClCC(OP(OC(CCl)C)(=O)Cc1ccccc1)C
InChI:   InChI=1/C13H19Cl2O3P/c1-11(8-14)17-19(16,18-12(2)9-15)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+,19-

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Potential Energy
Epot(MMFF94)=38.3551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.172 g/mol  logS: -3.56426  SlogP: 3.8637  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.164579  Sterimol/B1: 2.87993  Sterimol/B2: 4.04355  Sterimol/B3: 5.24136
  Sterimol/B4: 6.72251  Sterimol/L: 13.1236 
 
 Surface and Volume Properties
  Accessible surface: 528.458  Positive charged surface: 303.816  Negative charged surface: 224.641  Volume: 291.75
  Hydrophobic surface: 373.982  Hydrophilic surface: 154.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.