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PUBCHEM-ZINC06691818

 MMsINC code: MMs03839371
Type: Neutral
Formula: C24H38N2O5
SMILES:   O1CC(NC(=O)C(C\C=C/CCC1=O)CC(=O)N1CCCC1CO)CC1CCCCC1
InChI:   InChI=1/C24H38N2O5/c27-16-21-11-7-13-26(21)22(28)15-19-10-5-2-6-12-23(29)31-17-20(25-24(19)30)14-18-8-3-1-4-9-18/h2,5,18-21,27H,1,3-4,6-17H2,(H,25,30)/b5-2-/t19-,20-,21-/m1/s1

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Potential Energy
Epot(MMFF94)=94.5256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.577 g/mol  logS: -3.52956  SlogP: 2.7145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129666  Sterimol/B1: 3.94078  Sterimol/B2: 4.31567  Sterimol/B3: 4.52925
  Sterimol/B4: 8.90809  Sterimol/L: 16.1428 
 
 Surface and Volume Properties
  Accessible surface: 681.849  Positive charged surface: 527.357  Negative charged surface: 154.492  Volume: 431.625
  Hydrophobic surface: 559.641  Hydrophilic surface: 122.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.