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PUBCHEM-ZINC05282770

 MMsINC code: MMs03231319
Type: Neutral
Formula: C20H32N2O6
SMILES:   OC(=O)C1(NC(=O)CCCCC(=O)NC2(CCCCC2)C(O)=O)CCCCC1
InChI:   InChI=1/C20H32N2O6/c23-15(21-19(17(25)26)11-5-1-6-12-19)9-3-4-10-16(24)22-20(18(27)28)13-7-2-8-14-20/h1-14H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)

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Potential Energy
Epot(MMFF94)=92.7403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.484 g/mol  logS: -3.03702  SlogP: 2.3542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558214  Sterimol/B1: 2.3748  Sterimol/B2: 3.05216  Sterimol/B3: 4.29376
  Sterimol/B4: 6.31716  Sterimol/L: 18.3247 
 
 Surface and Volume Properties
  Accessible surface: 668.496  Positive charged surface: 498.65  Negative charged surface: 169.846  Volume: 377.125
  Hydrophobic surface: 480.399  Hydrophilic surface: 188.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03231320
PUBCHEM-ZINC05282770