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ENAMINE-ZINC05128816

 MMsINC code: MMs01591439
Type: Neutral
Formula: C23H27NO5
SMILES:   O(C(=O)C)c1ccc(cc1)-c1cc(ccc1)C(OCC(=O)N(C(C)C)C(C)C)=O
InChI:   InChI=1/C23H27NO5/c1-15(2)24(16(3)4)22(26)14-28-23(27)20-8-6-7-19(13-20)18-9-11-21(12-10-18)29-17(5)25/h6-13,15-16H,14H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.47 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -5.92193  SlogP: 4.0811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244553  Sterimol/B1: 2.40612  Sterimol/B2: 4.88247  Sterimol/B3: 4.92046
  Sterimol/B4: 5.38109  Sterimol/L: 22.3324 
 
 Surface and Volume Properties
  Accessible surface: 708.796  Positive charged surface: 395.655  Negative charged surface: 301.177  Volume: 391.375
  Hydrophobic surface: 528.097  Hydrophilic surface: 180.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.