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PUBCHEM-ZINC06563857

 MMsINC code: MMs03797919
Type: Neutral
Formula: C19H32N2O4
SMILES:   O(C(=O)C(NC(=O)CCC(=O)NCCC=1CCCCC=1)CC(C)C)C
InChI:   InChI=1/C19H32N2O4/c1-14(2)13-16(19(24)25-3)21-18(23)10-9-17(22)20-12-11-15-7-5-4-6-8-15/h7,14,16H,4-6,8-13H2,1-3H3,(H,20,22)(H,21,23)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=38.7442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.475 g/mol  logS: -3.63446  SlogP: 2.4772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029271  Sterimol/B1: 2.10664  Sterimol/B2: 3.25432  Sterimol/B3: 4.80187
  Sterimol/B4: 8.00365  Sterimol/L: 20.3612 
 
 Surface and Volume Properties
  Accessible surface: 705.451  Positive charged surface: 538.577  Negative charged surface: 166.874  Volume: 367.375
  Hydrophobic surface: 542.652  Hydrophilic surface: 162.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.