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NCID-ZINC05950439

 MMsINC code: MMs02512735
Type: Neutral
Formula: C18H32N4O6
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C18H32N4O6/c1-17(2,3)27-15(25)19-11-13(23)21-7-9-22(10-8-21)14(24)12-20-16(26)28-18(4,5)6/h7-12H2,1-6H3,(H,19,25)(H,20,26)

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Potential Energy
Epot(MMFF94)=73.1742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.476 g/mol  logS: -2.33458  SlogP: 0.7066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256184  Sterimol/B1: 2.34952  Sterimol/B2: 2.38757  Sterimol/B3: 4.98509
  Sterimol/B4: 7.39646  Sterimol/L: 22.9469 
 
 Surface and Volume Properties
  Accessible surface: 726.254  Positive charged surface: 531.171  Negative charged surface: 195.083  Volume: 387.625
  Hydrophobic surface: 450.193  Hydrophilic surface: 276.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.