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CHEMBLOCK-ZINC01432575

 MMsINC code: MMs00524523
Type: Neutral
Formula: C10H19N5O
SMILES:   O(C)c1nc(nc(n1)N)N(CCC)CCC
InChI:   InChI=1/C10H19N5O/c1-4-6-15(7-5-2)9-12-8(11)13-10(14-9)16-3/h4-7H2,1-3H3,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-58.0622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.296 g/mol  logS: -3.01205  SlogP: 1.0888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866674  Sterimol/B1: 2.30167  Sterimol/B2: 2.66115  Sterimol/B3: 3.35638
  Sterimol/B4: 8.63703  Sterimol/L: 12.8619 
 
 Surface and Volume Properties
  Accessible surface: 489.946  Positive charged surface: 399.961  Negative charged surface: 89.9847  Volume: 232
  Hydrophobic surface: 308.867  Hydrophilic surface: 181.079
 
 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.