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PUBCHEM-ZINC05853810

 MMsINC code: MMs03418426
Type: Neutral
Formula: C7H10ClN5O
SMILES:   Clc1nc(nc(n1)NCC)NC(=O)C
InChI:   InChI=1/C7H10ClN5O/c1-3-9-6-11-5(8)12-7(13-6)10-4(2)14/h3H2,1-2H3,(H2,9,10,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-58.4468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.644 g/mol  logS: -3.32283  SlogP: 0.9152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161328  Sterimol/B1: 2.3753  Sterimol/B2: 2.37588  Sterimol/B3: 2.47683
  Sterimol/B4: 6.66539  Sterimol/L: 14.0844 
 
 Surface and Volume Properties
  Accessible surface: 423.414  Positive charged surface: 254.116  Negative charged surface: 169.298  Volume: 185.625
  Hydrophobic surface: 258.051  Hydrophilic surface: 165.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.