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ENAMINE-ZINC03371734

 MMsINC code: MMs01402256
Type: Neutral
Formula: C12H18N4O5
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NC(=O)NCC)C1=O
InChI:   InChI=1/C12H18N4O5/c1-3-5-6-15-9(18)10(19)16(12(15)21)7-8(17)14-11(20)13-4-2/h3-7H2,1-2H3,(H2,13,14,17,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.299 g/mol  logS: -2.08832  SlogP: -0.577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039426  Sterimol/B1: 2.51898  Sterimol/B2: 2.69017  Sterimol/B3: 4.06902
  Sterimol/B4: 6.01329  Sterimol/L: 19.3236 
 
 Surface and Volume Properties
  Accessible surface: 555.188  Positive charged surface: 370.811  Negative charged surface: 184.377  Volume: 267.875
  Hydrophobic surface: 289.33  Hydrophilic surface: 265.858
 
 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.