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PUBCHEM-ZINC06361432

 MMsINC code: MMs03686932
Type: Neutral
Formula: C13H23N5O5
SMILES:   O1CCN(CC1)CCNC(=O)C(NC(=O)C1NC(=O)NC1)CO
InChI:   InChI=1/C13H23N5O5/c19-8-10(16-12(21)9-7-15-13(22)17-9)11(20)14-1-2-18-3-5-23-6-4-18/h9-10,19H,1-8H2,(H,14,20)(H,16,21)(H2,15,17,22)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=72.7945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.357 g/mol  logS: -0.08514  SlogP: -3.4067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052133  Sterimol/B1: 2.4419  Sterimol/B2: 3.37605  Sterimol/B3: 4.59621
  Sterimol/B4: 5.25866  Sterimol/L: 19.397 
 
 Surface and Volume Properties
  Accessible surface: 591.111  Positive charged surface: 477.519  Negative charged surface: 113.592  Volume: 297.5
  Hydrophobic surface: 340.414  Hydrophilic surface: 250.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03686933
PUBCHEM-ZINC06361432