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NCID-ZINC01676181

MMsINC code: MMs02311409

Type: Neutral
Formula: C11H14Cl2NO6P
SMILES:   ClCCOP(OCCCl)(=O)C(O)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C11H14Cl2NO6P/c12-4-6-19-21(18,20-7-5-13)11(15)9-2-1-3-10(8-9)14(16)17/h1-3,8,11,15H,4-7H2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=85.9757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.114 g/mol  logS: -3.37826  SlogP: 2.3149  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114926  Sterimol/B1: 2.66133  Sterimol/B2: 4.44063  Sterimol/B3: 4.60692
  Sterimol/B4: 6.79594  Sterimol/L: 14.6279 
 
 Surface and Volume Properties
  Accessible surface: 557.175  Positive charged surface: 249.852  Negative charged surface: 307.323  Volume: 282.125
  Hydrophobic surface: 280.682  Hydrophilic surface: 276.493
 
 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.