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PUBCHEM-ZINC06361335

 MMsINC code: MMs03686870
Type: Neutral
Formula: C20H32N2O5
SMILES:   O1CCNC(=O)C(C\C=C/CCCCC1=O)CC(=O)NC1(CCCC1)CO
InChI:   InChI=1/C20H32N2O5/c23-15-20(10-6-7-11-20)22-17(24)14-16-8-4-2-1-3-5-9-18(25)27-13-12-21-19(16)26/h2,4,16,23H,1,3,5-15H2,(H,21,26)(H,22,24)/b4-2-/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=88.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.485 g/mol  logS: -2.06649  SlogP: 1.5937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925991  Sterimol/B1: 2.39145  Sterimol/B2: 3.95714  Sterimol/B3: 5.13985
  Sterimol/B4: 8.45107  Sterimol/L: 16.6283 
 
 Surface and Volume Properties
  Accessible surface: 622.021  Positive charged surface: 485.457  Negative charged surface: 136.564  Volume: 374.5
  Hydrophobic surface: 482.586  Hydrophilic surface: 139.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.