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ASINEX-ZINC00673657

 MMsINC code: MMs00147740
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1ccc(cc1)CC(=O)NC1CCCCC1NC(=O)Cc1ccc(OC)cc1
InChI:   InChI=1/C24H30N2O4/c1-29-19-11-7-17(8-12-19)15-23(27)25-21-5-3-4-6-22(21)26-24(28)16-18-9-13-20(30-2)14-10-18/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.817 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: 0.0380549  Sterimol/B1: 2.95918  Sterimol/B2: 3.23246  Sterimol/B3: 3.91956
  Sterimol/B4: 8.47306  Sterimol/L: 23.2811 
 
 Surface and Volume Properties
  Accessible surface: 755.527  Positive charged surface: 555.885  Negative charged surface: 199.642  Volume: 409.375
  Hydrophobic surface: 677.295  Hydrophilic surface: 78.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.