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APOLLO-ZINC04280551

 MMsINC code: MMs00057945
Type: Neutral
Formula: C16H14Cl2N2O3
SMILES:   Clc1ccc(cc1)COc1ccc(cc1)/C(=N\OC(=O)CCl)/N
InChI:   InChI=1/C16H14Cl2N2O3/c17-9-15(21)23-20-16(19)12-3-7-14(8-4-12)22-10-11-1-5-13(18)6-2-11/h1-8H,9-10H2,(H2,19,20)

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Potential Energy
Epot(MMFF94)=104.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.205 g/mol  logS: -5.47818  SlogP: 3.5877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.031179  Sterimol/B1: 2.42103  Sterimol/B2: 4.55317  Sterimol/B3: 4.81658
  Sterimol/B4: 4.94268  Sterimol/L: 20.9538 
 
 Surface and Volume Properties
  Accessible surface: 608.983  Positive charged surface: 289.942  Negative charged surface: 319.04  Volume: 303.75
  Hydrophobic surface: 420.462  Hydrophilic surface: 188.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.