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IFLAB-ZINC04070246

 MMsINC code: MMs02012073
Type: Neutral
Formula: C14H18Cl2NO4P
SMILES:   ClC(Cl)=C(P(OCC)(OCC)=O)NC(=O)Cc1ccccc1
InChI:   InChI=1/C14H18Cl2NO4P/c1-3-20-22(19,21-4-2)14(13(15)16)17-12(18)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=89.9032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.181 g/mol  logS: -4.54714  SlogP: 3.25427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124547  Sterimol/B1: 2.42485  Sterimol/B2: 2.54523  Sterimol/B3: 5.78755
  Sterimol/B4: 9.46881  Sterimol/L: 14.5398 
 
 Surface and Volume Properties
  Accessible surface: 575.793  Positive charged surface: 315.447  Negative charged surface: 260.346  Volume: 312.125
  Hydrophobic surface: 479.982  Hydrophilic surface: 95.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.