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ANALYTICONDISCOVERY-ZINC03838735

 MMsINC code: MMs00026142
Type: Neutral
Formula: C14H26N4O6
SMILES:   OC1C(NC(=O)NCCC)CC(O)(CC1O)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C14H26N4O6/c1-3-4-16-13(23)18-8-5-14(24,6-9(19)10(8)20)12(22)17-7(2)11(15)21/h7-10,19-20,24H,3-6H2,1-2H3,(H2,15,21)(H,17,22)(H2,16,18,23)/t7-,8+,9-,10-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=44.8696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.384 g/mol  logS: -0.85641  SlogP: -2.6991  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0339923  Sterimol/B1: 2.86758  Sterimol/B2: 3.29419  Sterimol/B3: 3.61316
  Sterimol/B4: 6.90987  Sterimol/L: 20.0506 
 
 Surface and Volume Properties
  Accessible surface: 611.442  Positive charged surface: 445.791  Negative charged surface: 165.652  Volume: 317.5
  Hydrophobic surface: 277.537  Hydrophilic surface: 333.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.