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ANALYTICONDISCOVERY-ZINC05413409

 MMsINC code: MMs00036688
Type: Neutral
Formula: C19H33N5O4
SMILES:   O1CCN(CC1)C(=O)N1CCNCC1C(=O)NC(CC1CCCCC1)C(=O)N
InChI:   InChI=1/C19H33N5O4/c20-17(25)15(12-14-4-2-1-3-5-14)22-18(26)16-13-21-6-7-24(16)19(27)23-8-10-28-11-9-23/h14-16,21H,1-13H2,(H2,20,25)(H,22,26)/t15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=131.537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.504 g/mol  logS: -3.05378  SlogP: -0.3471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805315  Sterimol/B1: 3.16538  Sterimol/B2: 3.92  Sterimol/B3: 4.89795
  Sterimol/B4: 7.61616  Sterimol/L: 16.5978 
 
 Surface and Volume Properties
  Accessible surface: 636.025  Positive charged surface: 524.826  Negative charged surface: 111.199  Volume: 377.875
  Hydrophobic surface: 471.867  Hydrophilic surface: 164.158
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.