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ANALYTICONDISCOVERY-ZINC05398613

 MMsINC code: MMs00036209
Type: Neutral
Formula: C14H24N4O5
SMILES:   O1CCN(CC1)C(=O)N1CCNCC1C(=O)NC(C(OC)=O)C
InChI:   InChI=1/C14H24N4O5/c1-10(13(20)22-2)16-12(19)11-9-15-3-4-18(11)14(21)17-5-7-23-8-6-17/h10-11,15H,3-9H2,1-2H3,(H,16,19)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=119.13 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.369 g/mol  logS: -0.50756  SlogP: -1.6099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111546  Sterimol/B1: 2.01349  Sterimol/B2: 4.0535  Sterimol/B3: 5.95854
  Sterimol/B4: 6.39796  Sterimol/L: 15.459 
 
 Surface and Volume Properties
  Accessible surface: 565.261  Positive charged surface: 471.698  Negative charged surface: 93.5629  Volume: 301.875
  Hydrophobic surface: 427.512  Hydrophilic surface: 137.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00036210
ANALYTICONDISCOVERY-ZINC05398613