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ANALYTICONDISCOVERY-ZINC05433813

 MMsINC code: MMs00037654
Type: Neutral
Formula: C15H25N5O4
SMILES:   O1CCN(CC1)C(=O)N1CC(NCC1)C(=O)NC1CCCNC1=O
InChI:   InChI=1/C15H25N5O4/c21-13-11(2-1-3-17-13)18-14(22)12-10-20(5-4-16-12)15(23)19-6-8-24-9-7-19/h11-12,16H,1-10H2,(H,17,21)(H,18,22)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=137.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.396 g/mol  logS: -0.49713  SlogP: -1.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441779  Sterimol/B1: 2.72463  Sterimol/B2: 2.81467  Sterimol/B3: 4.17381
  Sterimol/B4: 6.56889  Sterimol/L: 17.6186 
 
 Surface and Volume Properties
  Accessible surface: 580.871  Positive charged surface: 475.661  Negative charged surface: 105.21  Volume: 308.625
  Hydrophobic surface: 416.359  Hydrophilic surface: 164.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.