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ANALYTICONDISCOVERY-ZINC04277849

 MMsINC code: MMs00035387
Type: Neutral
Formula: C18H30N4O4
SMILES:   O=C(NC(CC1CCCCC1)C(=O)N)C1N(CCN(C1)C(=O)C)C(=O)C
InChI:   InChI=1/C18H30N4O4/c1-12(23)21-8-9-22(13(2)24)16(11-21)18(26)20-15(17(19)25)10-14-6-4-3-5-7-14/h14-16H,3-11H2,1-2H3,(H2,19,25)(H,20,26)/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=133.776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.34143  SlogP: 0.0061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116743  Sterimol/B1: 2.63669  Sterimol/B2: 5.48944  Sterimol/B3: 5.54484
  Sterimol/B4: 5.9392  Sterimol/L: 15.9085 
 
 Surface and Volume Properties
  Accessible surface: 612.917  Positive charged surface: 449.378  Negative charged surface: 163.539  Volume: 354.875
  Hydrophobic surface: 443.908  Hydrophilic surface: 169.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.