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ENAMINE-ZINC03546078

 MMsINC code: MMs01500882
Type: Neutral
Formula: C17H25N3O4
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC2CCCCC2C)C1=O
InChI:   InChI=1/C17H25N3O4/c1-11-6-2-5-9-13(11)18-14(21)10-19-15(22)16(23)20(17(19)24)12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H,18,21)/t11-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=22.3666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.404 g/mol  logS: -3.11721  SlogP: 1.4147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691929  Sterimol/B1: 2.12306  Sterimol/B2: 3.28375  Sterimol/B3: 5.16892
  Sterimol/B4: 6.69337  Sterimol/L: 17.1053 
 
 Surface and Volume Properties
  Accessible surface: 583.376  Positive charged surface: 405.144  Negative charged surface: 178.232  Volume: 319.875
  Hydrophobic surface: 426.272  Hydrophilic surface: 157.104
 
 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.