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CHEMBLOCK-ZINC04744170

 MMsINC code: MMs00575825
Type: Neutral
Formula: C11H13Cl2N3O
SMILES:   Clc1cc(Cl)cnc1N1CCC(CC1)C(=O)N
InChI:   InChI=1/C11H13Cl2N3O/c12-8-5-9(13)11(15-6-8)16-3-1-7(2-4-16)10(14)17/h5-7H,1-4H2,(H2,14,17)

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Potential Energy
Epot(MMFF94)=72.1531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.151 g/mol  logS: -2.42141  SlogP: 2.0901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116216  Sterimol/B1: 3.12367  Sterimol/B2: 3.57454  Sterimol/B3: 3.5932
  Sterimol/B4: 4.35882  Sterimol/L: 15.1262 
 
 Surface and Volume Properties
  Accessible surface: 463.233  Positive charged surface: 267.424  Negative charged surface: 195.809  Volume: 232.25
  Hydrophobic surface: 348.662  Hydrophilic surface: 114.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.