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ENAMINE-ZINC02650198

 MMsINC code: MMs01274896
Type: Neutral
Formula: C16H26N4O5
SMILES:   O=C1NC(=O)N(CCCC)C(N)=C1N(C(=O)CCC(O)=O)CC(C)C
InChI:   InChI=1/C16H26N4O5/c1-4-5-8-19-14(17)13(15(24)18-16(19)25)20(9-10(2)3)11(21)6-7-12(22)23/h10H,4-9,17H2,1-3H3,(H,22,23)(H,18,24,25)

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Potential Energy
Epot(MMFF94)=35.8598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.407 g/mol  logS: -2.01994  SlogP: 0.8155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132702  Sterimol/B1: 3.70755  Sterimol/B2: 4.33522  Sterimol/B3: 4.99715
  Sterimol/B4: 7.10278  Sterimol/L: 15.1147 
 
 Surface and Volume Properties
  Accessible surface: 601.354  Positive charged surface: 404.354  Negative charged surface: 197  Volume: 330.5
  Hydrophobic surface: 299.215  Hydrophilic surface: 302.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01274897
ENAMINE-ZINC02650198