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ENAMINE-ZINC06509620

 MMsINC code: MMs01666021
Type: Neutral
Formula: C25H32N2O4
SMILES:   O(C)c1ccc(cc1)C1N(CCCC)C(=O)CCC1C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C25H32N2O4/c1-4-5-16-27-23(28)15-14-22(24(27)19-8-12-21(31-3)13-9-19)25(29)26-17-18-6-10-20(30-2)11-7-18/h6-13,22,24H,4-5,14-17H2,1-3H3,(H,26,29)/t22-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.541 g/mol  logS: -4.49946  SlogP: 4.4619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715758  Sterimol/B1: 2.47948  Sterimol/B2: 2.67043  Sterimol/B3: 5.63488
  Sterimol/B4: 10.6948  Sterimol/L: 20.8011 
 
 Surface and Volume Properties
  Accessible surface: 750.216  Positive charged surface: 550.924  Negative charged surface: 199.292  Volume: 426
  Hydrophobic surface: 647.639  Hydrophilic surface: 102.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.