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PUBCHEM-ZINC02011128

 MMsINC code: MMs02849256
Type: Neutral
Formula: C10H17ClN4O
SMILES:   Clc1nc(nc(OC)n1)NCCCCCC
InChI:   InChI=1/C10H17ClN4O/c1-3-4-5-6-7-12-9-13-8(11)14-10(15-9)16-2/h3-7H2,1-2H3,(H,12,13,14,15)

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Potential Energy
Epot(MMFF94)=-48.1622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.726 g/mol  logS: -4.91119  SlogP: 2.5258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166965  Sterimol/B1: 2.37518  Sterimol/B2: 2.3767  Sterimol/B3: 2.75682
  Sterimol/B4: 5.74894  Sterimol/L: 17.9439 
 
 Surface and Volume Properties
  Accessible surface: 505.166  Positive charged surface: 354.87  Negative charged surface: 150.296  Volume: 235.375
  Hydrophobic surface: 383.239  Hydrophilic surface: 121.927
 
 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.