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ENAMINE-ZINC03487490

 MMsINC code: MMs01469279
Type: Neutral
Formula: C15H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC1CC(C)C
InChI:   InChI=1/C15H24N4O4/c1-9(2)7-11-13(21)19(15(23)17-11)8-12(20)18-14(22)16-10-5-3-4-6-10/h9-11H,3-8H2,1-2H3,(H,17,23)(H2,16,18,20,22)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=4.81402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -2.95093  SlogP: 0.7213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389974  Sterimol/B1: 2.02237  Sterimol/B2: 3.55034  Sterimol/B3: 4.24539
  Sterimol/B4: 5.47939  Sterimol/L: 19.5692 
 
 Surface and Volume Properties
  Accessible surface: 599.471  Positive charged surface: 415.369  Negative charged surface: 184.102  Volume: 306.375
  Hydrophobic surface: 364.532  Hydrophilic surface: 234.939
 
 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.