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NANOSIN-ZINC03108391

 MMsINC code: MMs02202686
Type: Neutral
Formula: C11H17FN4O
SMILES:   Fc1cnc(nc1NCCO)N1CCCCC1
InChI:   InChI=1/C11H17FN4O/c12-9-8-14-11(15-10(9)13-4-7-17)16-5-2-1-3-6-16/h8,17H,1-7H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=53.9189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.282 g/mol  logS: -1.7712  SlogP: 1.0102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481594  Sterimol/B1: 2.53903  Sterimol/B2: 2.81255  Sterimol/B3: 3.41132
  Sterimol/B4: 7.21637  Sterimol/L: 13.8918 
 
 Surface and Volume Properties
  Accessible surface: 464.85  Positive charged surface: 381.317  Negative charged surface: 83.5333  Volume: 227.625
  Hydrophobic surface: 361.417  Hydrophilic surface: 103.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.