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PUBCHEM-ZINC06158083

 MMsINC code: MMs03569099
Type: Neutral
Formula: C19H30N2O5
SMILES:   O1CCNC(=O)C(C\C=C/CCCCC1=O)CC(=O)N1CCCC1CO
InChI:   InChI=1/C19H30N2O5/c22-14-16-8-6-11-21(16)17(23)13-15-7-4-2-1-3-5-9-18(24)26-12-10-20-19(15)25/h2,4,15-16,22H,1,3,5-14H2,(H,20,25)/b4-2-/t15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=80.3755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -1.55696  SlogP: 1.1557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548715  Sterimol/B1: 2.5905  Sterimol/B2: 3.24047  Sterimol/B3: 3.41422
  Sterimol/B4: 8.27469  Sterimol/L: 16.0172 
 
 Surface and Volume Properties
  Accessible surface: 597.038  Positive charged surface: 473.537  Negative charged surface: 123.501  Volume: 355.625
  Hydrophobic surface: 461.949  Hydrophilic surface: 135.089
 
 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.