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APOLLO-ZINC03142439

 MMsINC code: MMs00056012
Type: Neutral
Formula: C15H11Cl3N3OP
SMILES:   ClC(Cl)(Cl)C1=NC(=NP(=O)(N1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H11Cl3N3OP/c16-15(17,18)14-19-13(11-7-3-1-4-8-11)20-23(22,21-14)12-9-5-2-6-10-12/h1-10H,(H,19,20,21,22)/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=36.3922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.606 g/mol  logS: -6.22388  SlogP: 3.6734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121147  Sterimol/B1: 3.4463  Sterimol/B2: 4.10698  Sterimol/B3: 5.28282
  Sterimol/B4: 7.8916  Sterimol/L: 14.3218 
 
 Surface and Volume Properties
  Accessible surface: 562.084  Positive charged surface: 195.914  Negative charged surface: 366.17  Volume: 312.125
  Hydrophobic surface: 342.699  Hydrophilic surface: 219.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.