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ENAMINE-ZINC03129829

 MMsINC code: MMs01290930
Type: Neutral
Formula: C14H13Cl3NO4P
SMILES:   ClC(Cl)(Cl)C(O)NP(Oc1ccccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C14H13Cl3NO4P/c15-14(16,17)13(19)18-23(20,21-11-7-3-1-4-8-11)22-12-9-5-2-6-10-12/h1-10,13,19H,(H,18,20)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=57.3648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.594 g/mol  logS: -4.79878  SlogP: 3.8804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10331  Sterimol/B1: 3.78486  Sterimol/B2: 3.92638  Sterimol/B3: 3.93578
  Sterimol/B4: 6.60783  Sterimol/L: 14.4184 
 
 Surface and Volume Properties
  Accessible surface: 535.913  Positive charged surface: 222.344  Negative charged surface: 313.569  Volume: 315.125
  Hydrophobic surface: 339.89  Hydrophilic surface: 196.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.