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ANALYTICONDISCOVERY-ZINC04260112

 MMsINC code: MMs00034248
Type: Neutral
Formula: C19H30N4O4
SMILES:   O1CCN(CC1)C(=O)N1CC2N(CC1)C(=O)C(NC2=O)CC1CCCCC1
InChI:   InChI=1/C19H30N4O4/c24-17-16-13-22(19(26)21-8-10-27-11-9-21)6-7-23(16)18(25)15(20-17)12-14-4-2-1-3-5-14/h14-16H,1-13H2,(H,20,24)/t15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=190.726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.473 g/mol  logS: -3.2237  SlogP: 0.4202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668468  Sterimol/B1: 3.51349  Sterimol/B2: 3.58591  Sterimol/B3: 3.95941
  Sterimol/B4: 6.75793  Sterimol/L: 17.4151 
 
 Surface and Volume Properties
  Accessible surface: 613.978  Positive charged surface: 485.212  Negative charged surface: 128.766  Volume: 356.5
  Hydrophobic surface: 476.628  Hydrophilic surface: 137.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.