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PUBCHEM-ZINC01030912

 MMsINC code: MMs02760173
Type: Neutral
Formula: C15H26ClN11
SMILES:   Clc1nc(nc(n1)NN(C)c1nc(nc(n1)N(C)C)N(C)C)NC(C)(C)C
InChI:   InChI=1/C15H26ClN11/c1-15(2,3)23-10-17-9(16)18-11(19-10)24-27(8)14-21-12(25(4)5)20-13(22-14)26(6)7/h1-8H3,(H2,17,18,19,23,24)

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Potential Energy
Epot(MMFF94)=-52.1594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.903 g/mol  logS: -5.70478  SlogP: 1.5157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584386  Sterimol/B1: 3.27918  Sterimol/B2: 5.12875  Sterimol/B3: 5.22792
  Sterimol/B4: 5.71767  Sterimol/L: 18.3116 
 
 Surface and Volume Properties
  Accessible surface: 689.113  Positive charged surface: 545.958  Negative charged surface: 143.155  Volume: 373.25
  Hydrophobic surface: 525.156  Hydrophilic surface: 163.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.