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ANALYTICONDISCOVERY-ZINC05437522

 MMsINC code: MMs00038159
Type: Neutral
Formula: C17H27N5O5
SMILES:   O1CCN(CC1)C(=O)N1CC(N(CC1)C(=O)C)C(=O)NC1CCCNC1=O
InChI:   InChI=1/C17H27N5O5/c1-12(23)22-6-5-21(17(26)20-7-9-27-10-8-20)11-14(22)16(25)19-13-3-2-4-18-15(13)24/h13-14H,2-11H2,1H3,(H,18,24)(H,19,25)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=181.143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.433 g/mol  logS: -0.80413  SlogP: -1.6339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883628  Sterimol/B1: 1.98125  Sterimol/B2: 2.93182  Sterimol/B3: 4.0137
  Sterimol/B4: 10.4691  Sterimol/L: 14.9393 
 
 Surface and Volume Properties
  Accessible surface: 614.561  Positive charged surface: 493.352  Negative charged surface: 121.208  Volume: 345
  Hydrophobic surface: 464.769  Hydrophilic surface: 149.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.