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ENAMINE-ZINC06529691

 MMsINC code: MMs01667662
Type: Neutral
Formula: C23H26N2O3
SMILES:   O(C)c1cc(NC(=O)c2ccccc2NC(=O)CC2C3CC(C2)CC3)ccc1
InChI:   InChI=1/C23H26N2O3/c1-28-19-6-4-5-18(14-19)24-23(27)20-7-2-3-8-21(20)25-22(26)13-17-12-15-9-10-16(17)11-15/h2-8,14-17H,9-13H2,1H3,(H,24,27)(H,25,26)/t15-,16+,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -6.70371  SlogP: 4.7123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334708  Sterimol/B1: 2.38577  Sterimol/B2: 2.80983  Sterimol/B3: 4.21203
  Sterimol/B4: 11.4509  Sterimol/L: 18.1658 
 
 Surface and Volume Properties
  Accessible surface: 665.976  Positive charged surface: 462.452  Negative charged surface: 203.524  Volume: 375.25
  Hydrophobic surface: 600.395  Hydrophilic surface: 65.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.