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ENAMINE-ZINC03516769

 MMsINC code: MMs01486547
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C17H26N4O4/c1-11-6-4-5-9-17(11)14(23)21(16(25)20-17)10-13(22)19-15(24)18-12-7-2-3-8-12/h11-12H,2-10H2,1H3,(H,20,25)(H2,18,19,22,24)/t11-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=18.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -3.06442  SlogP: 1.2555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557327  Sterimol/B1: 2.39418  Sterimol/B2: 2.73823  Sterimol/B3: 4.43993
  Sterimol/B4: 6.61496  Sterimol/L: 17.5178 
 
 Surface and Volume Properties
  Accessible surface: 601.105  Positive charged surface: 433.902  Negative charged surface: 167.204  Volume: 327.5
  Hydrophobic surface: 418.273  Hydrophilic surface: 182.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.