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ASINEX-ZINC04945561

 MMsINC code: MMs00410580
Type: Neutral
Formula: C14H24N4O2
SMILES:   O1C(CN(CC1C)CC(=O)NCCn1ccnc1C)C
InChI:   InChI=1/C14H24N4O2/c1-11-8-17(9-12(2)20-11)10-14(19)16-5-7-18-6-4-15-13(18)3/h4,6,11-12H,5,7-10H2,1-3H3,(H,16,19)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=75.0561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.372 g/mol  logS: -0.89176  SlogP: 0.68332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730788  Sterimol/B1: 2.15762  Sterimol/B2: 2.59701  Sterimol/B3: 5.16909
  Sterimol/B4: 5.58887  Sterimol/L: 17.2567 
 
 Surface and Volume Properties
  Accessible surface: 560.385  Positive charged surface: 437.644  Negative charged surface: 122.741  Volume: 286.875
  Hydrophobic surface: 432.536  Hydrophilic surface: 127.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.