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CHEMBRIDGE-ZINC01280976

 MMsINC code: MMs00693723
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1ccc(cc1)CC(=O)NC1CCC(NC(=O)Cc2ccc(OC)cc2)CC1
InChI:   InChI=1/C24H30N2O4/c1-29-21-11-3-17(4-12-21)15-23(27)25-19-7-9-20(10-8-19)26-24(28)16-18-5-13-22(30-2)14-6-18/h3-6,11-14,19-20H,7-10,15-16H2,1-2H3,(H,25,27)(H,26,28)/t19-,20+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.6511  SlogP: 3.03254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335102  Sterimol/B1: 2.09076  Sterimol/B2: 3.22737  Sterimol/B3: 4.58657
  Sterimol/B4: 8.48978  Sterimol/L: 23.6685 
 
 Surface and Volume Properties
  Accessible surface: 749.263  Positive charged surface: 552.79  Negative charged surface: 196.473  Volume: 410.125
  Hydrophobic surface: 666.835  Hydrophilic surface: 82.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.