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BACHEM-ZINC04899896

 MMsINC code: MMs00485466
Type: Neutral
Formula: C15H28N4O5
SMILES:   OC(C(N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(O)=O)C
InChI:   InChI=1/C15H28N4O5/c1-9(20)12(17)14(22)19-8-4-6-11(19)13(21)18-10(15(23)24)5-2-3-7-16/h9-12,20H,2-8,16-17H2,1H3,(H,18,21)(H,23,24)/t9-,10+,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=82.2818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.412 g/mol  logS: -0.49061  SlogP: -1.6161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145738  Sterimol/B1: 3.57257  Sterimol/B2: 3.71092  Sterimol/B3: 6.07956
  Sterimol/B4: 6.09989  Sterimol/L: 16.9859 
 
 Surface and Volume Properties
  Accessible surface: 621.111  Positive charged surface: 470.002  Negative charged surface: 151.109  Volume: 328.25
  Hydrophobic surface: 328.475  Hydrophilic surface: 292.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.