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ENAMINE-ZINC03532941

 MMsINC code: MMs01494686
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C16H26N4O4/c1-10(2)8-12-14(22)20(16(24)18-12)9-13(21)19-15(23)17-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,18,24)(H2,17,19,21,23)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=0.272544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -3.46615  SlogP: 1.1114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433867  Sterimol/B1: 2.00037  Sterimol/B2: 3.6018  Sterimol/B3: 4.34225
  Sterimol/B4: 7.19646  Sterimol/L: 18.9884 
 
 Surface and Volume Properties
  Accessible surface: 613.498  Positive charged surface: 438.614  Negative charged surface: 174.884  Volume: 322.5
  Hydrophobic surface: 377.261  Hydrophilic surface: 236.237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.