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ENAMINE-ZINC03293334

 MMsINC code: MMs01354479
Type: Neutral
Formula: C10H9Cl2N3
SMILES:   Clc1cc(Cl)ccc1-n1nc(cc1N)C
InChI:   InChI=1/C10H9Cl2N3/c1-6-4-10(13)15(14-6)9-3-2-7(11)5-8(9)12/h2-5H,13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.2305 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: 0.0619338  Sterimol/B1: 2.37932  Sterimol/B2: 3.40933  Sterimol/B3: 3.74559
  Sterimol/B4: 5.54753  Sterimol/L: 13.5972 
 
 Surface and Volume Properties
  Accessible surface: 424.187  Positive charged surface: 185.603  Negative charged surface: 238.584  Volume: 206.375
  Hydrophobic surface: 364.759  Hydrophilic surface: 59.428
 
 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.