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ENAMINE-ZINC03286648

 MMsINC code: MMs01350825
Type: Neutral
Formula: C10H9Cl2N3
SMILES:   Clc1cc(-n2nc(cc2N)C)ccc1Cl
InChI:   InChI=1/C10H9Cl2N3/c1-6-4-10(13)15(14-6)7-2-3-8(11)9(12)5-7/h2-5H,13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.109 g/mol  logS: -3.3529  SlogP: 3.06972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374686  Sterimol/B1: 2.74765  Sterimol/B2: 2.87201  Sterimol/B3: 2.94046
  Sterimol/B4: 5.56786  Sterimol/L: 13.6057 
 
 Surface and Volume Properties
  Accessible surface: 422.759  Positive charged surface: 179.435  Negative charged surface: 243.324  Volume: 207.5
  Hydrophobic surface: 363.457  Hydrophilic surface: 59.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.