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CHEMBRIDGE-ZINC02751900

 MMsINC code: MMs00715300
Type: Neutral
Formula: C17H18Cl2N4O2
SMILES:   Clc1cc(NC(=O)NC(CNC(=O)Nc2cc(Cl)ccc2)C)ccc1
InChI:   InChI=1/C17H18Cl2N4O2/c1-11(21-17(25)23-15-7-3-5-13(19)9-15)10-20-16(24)22-14-6-2-4-12(18)8-14/h2-9,11H,10H2,1H3,(H2,20,22,24)(H2,21,23,25)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.0893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.263 g/mol  logS: -5.06163  SlogP: 4.3251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559004  Sterimol/B1: 2.14863  Sterimol/B2: 3.26526  Sterimol/B3: 4.68731
  Sterimol/B4: 9.12225  Sterimol/L: 19.4977 
 
 Surface and Volume Properties
  Accessible surface: 652.629  Positive charged surface: 334.664  Negative charged surface: 317.965  Volume: 336
  Hydrophobic surface: 519.61  Hydrophilic surface: 133.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.