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ENAMINE-ZINC02631469

 MMsINC code: MMs01262598
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1N(CC(=O)N2CCN(CC2)C(=O)C)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C17H26N4O4/c1-12(22)19-7-9-20(10-8-19)14(23)11-21-16(24)15(18-17(21)25)13-5-3-2-4-6-13/h13,15H,2-11H2,1H3,(H,18,25)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=41.5315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -2.49822  SlogP: 0.1778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379213  Sterimol/B1: 3.58275  Sterimol/B2: 3.92889  Sterimol/B3: 3.99581
  Sterimol/B4: 4.38411  Sterimol/L: 19.0972 
 
 Surface and Volume Properties
  Accessible surface: 589.886  Positive charged surface: 424.844  Negative charged surface: 165.042  Volume: 329.375
  Hydrophobic surface: 434.056  Hydrophilic surface: 155.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.