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PUBCHEM-ZINC04694237

 MMsINC code: MMs03158113
Type: Neutral
Formula: C19H28N2O4
SMILES:   O(C(=O)C(NC(=O)CC(CC(=O)Nc1ccccc1)C)CC(C)C)C
InChI:   InChI=1/C19H28N2O4/c1-13(2)10-16(19(24)25-4)21-18(23)12-14(3)11-17(22)20-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3,(H,20,22)(H,21,23)/t14-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.443 g/mol  logS: -4.20796  SlogP: 2.7453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596536  Sterimol/B1: 2.54146  Sterimol/B2: 3.1187  Sterimol/B3: 4.91316
  Sterimol/B4: 8.61769  Sterimol/L: 18.9644 
 
 Surface and Volume Properties
  Accessible surface: 668.86  Positive charged surface: 464.42  Negative charged surface: 204.441  Volume: 353.125
  Hydrophobic surface: 521.189  Hydrophilic surface: 147.671
 
 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.