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ANALYTICONDISCOVERY-ZINC05398514

 MMsINC code: MMs00036191
Type: Neutral
Formula: C18H30N4O5
SMILES:   O(C(=O)C(NC(=O)C1N(CCN(C1)C(=O)C)C(=O)NC1CCCCC1)C)C
InChI:   InChI=1/C18H30N4O5/c1-12(17(25)27-3)19-16(24)15-11-21(13(2)23)9-10-22(15)18(26)20-14-7-5-4-6-8-14/h12,14-15H,4-11H2,1-3H3,(H,19,24)(H,20,26)/t12-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=88.9764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.461 g/mol  logS: -2.10021  SlogP: 0.2391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712611  Sterimol/B1: 3.17338  Sterimol/B2: 3.51032  Sterimol/B3: 3.56118
  Sterimol/B4: 11.4415  Sterimol/L: 15.972 
 
 Surface and Volume Properties
  Accessible surface: 662.831  Positive charged surface: 513.717  Negative charged surface: 149.114  Volume: 366
  Hydrophobic surface: 527.062  Hydrophilic surface: 135.769
 
 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.