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PUBCHEM-ZINC04603785

 MMsINC code: MMs03140726
Type: Neutral
Formula: C24H29NO4
SMILES:   O(C(=O)C(NC(=O)c1ccc(cc1)CC)C(C)C)CC(=O)c1ccc(cc1)CC
InChI:   InChI=1/C24H29NO4/c1-5-17-7-11-19(12-8-17)21(26)15-29-24(28)22(16(3)4)25-23(27)20-13-9-18(6-2)10-14-20/h7-14,16,22H,5-6,15H2,1-4H3,(H,25,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.499 g/mol  logS: -6.74746  SlogP: 3.99184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020626  Sterimol/B1: 2.19176  Sterimol/B2: 3.41484  Sterimol/B3: 4.0788
  Sterimol/B4: 7.57249  Sterimol/L: 22.5611 
 
 Surface and Volume Properties
  Accessible surface: 732.915  Positive charged surface: 453.399  Negative charged surface: 279.516  Volume: 403.75
  Hydrophobic surface: 568.95  Hydrophilic surface: 163.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.