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ENAMINE-ZINC05252748

 MMsINC code: MMs01601448
Type: Neutral
Formula: C22H25NO5
SMILES:   O(C)c1ccc(OC)cc1C(OC(C(=O)NC1CCCc2c1cccc2)C)=O
InChI:   InChI=1/C22H25NO5/c1-14(28-22(25)18-13-16(26-2)11-12-20(18)27-3)21(24)23-19-10-6-8-15-7-4-5-9-17(15)19/h4-5,7,9,11-14,19H,6,8,10H2,1-3H3,(H,23,24)/t14-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.75 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.444 g/mol  logS: -5.03591  SlogP: 3.53837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11519  Sterimol/B1: 2.13554  Sterimol/B2: 2.55438  Sterimol/B3: 6.40961
  Sterimol/B4: 8.0064  Sterimol/L: 17.172 
 
 Surface and Volume Properties
  Accessible surface: 670.942  Positive charged surface: 476.879  Negative charged surface: 194.063  Volume: 372.125
  Hydrophobic surface: 583.59  Hydrophilic surface: 87.352
 
 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.