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CHEMBLOCK-ZINC03664965

 MMsINC code: MMs00539650
Type: Neutral
Formula: C13H20ClN5
SMILES:   Clc1nc(nc(n1)NC1CCCC1)N1CCCCC1
InChI:   InChI=1/C13H20ClN5/c14-11-16-12(15-10-6-2-3-7-10)18-13(17-11)19-8-4-1-5-9-19/h10H,1-9H2,(H,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-8.81604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.791 g/mol  logS: -4.42365  SlogP: 2.8698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560066  Sterimol/B1: 3.05066  Sterimol/B2: 3.33154  Sterimol/B3: 3.75841
  Sterimol/B4: 7.08651  Sterimol/L: 15.4586 
 
 Surface and Volume Properties
  Accessible surface: 531.885  Positive charged surface: 376.055  Negative charged surface: 155.83  Volume: 268.75
  Hydrophobic surface: 461.444  Hydrophilic surface: 70.441
 
 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.