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ENAMINE-ZINC03371728

 MMsINC code: MMs01402254
Type: Neutral
Formula: C15H24N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NCCC(C)C)C1=O
InChI:   InChI=1/C15H24N4O5/c1-4-5-8-18-12(21)13(22)19(15(18)24)9-11(20)17-14(23)16-7-6-10(2)3/h10H,4-9H2,1-3H3,(H2,16,17,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.1667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.38 g/mol  logS: -3.32053  SlogP: 0.4492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321937  Sterimol/B1: 2.30082  Sterimol/B2: 3.25886  Sterimol/B3: 3.7348
  Sterimol/B4: 6.27548  Sterimol/L: 21.7477 
 
 Surface and Volume Properties
  Accessible surface: 640.3  Positive charged surface: 433.73  Negative charged surface: 206.57  Volume: 321.5
  Hydrophobic surface: 354.292  Hydrophilic surface: 286.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.