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PUBCHEM-ZINC03010441

 MMsINC code: MMs02979504
Type: Neutral
Formula: C19H28N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CC(C)C)CC
InChI:   InChI=1/C19H28N2O4/c1-5-25-19(24)17(11-13(2)3)21-18(23)16(20-14(4)22)12-15-9-7-6-8-10-15/h6-10,13,16-17H,5,11-12H2,1-4H3,(H,20,22)(H,21,23)/t16-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.443 g/mol  logS: -4.06721  SlogP: 1.82777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949096  Sterimol/B1: 2.72026  Sterimol/B2: 3.5589  Sterimol/B3: 5.6935
  Sterimol/B4: 7.14171  Sterimol/L: 17.3459 
 
 Surface and Volume Properties
  Accessible surface: 655.364  Positive charged surface: 433.178  Negative charged surface: 222.186  Volume: 353
  Hydrophobic surface: 505.247  Hydrophilic surface: 150.117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.