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PUBCHEM-ZINC06758272

 MMsINC code: MMs03853678
Type: Neutral
Formula: C17H25N3O6
SMILES:   O1C(CCC1=O)C(=O)N(CC1CC1C(OCC)=O)CCN1CCNC1=O
InChI:   InChI=1/C17H25N3O6/c1-2-25-16(23)12-9-11(12)10-20(8-7-19-6-5-18-17(19)24)15(22)13-3-4-14(21)26-13/h11-13H,2-10H2,1H3,(H,18,24)/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=52.4856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.402 g/mol  logS: -1.27326  SlogP: -0.255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582447  Sterimol/B1: 3.03777  Sterimol/B2: 3.15891  Sterimol/B3: 3.64215
  Sterimol/B4: 9.42054  Sterimol/L: 18.1185 
 
 Surface and Volume Properties
  Accessible surface: 642.633  Positive charged surface: 456.438  Negative charged surface: 186.196  Volume: 344.125
  Hydrophobic surface: 399.968  Hydrophilic surface: 242.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.