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ENAMINE-ZINC04549645

 MMsINC code: MMs01547013
Type: Neutral
Formula: C23H27NO5
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)C(OCC(=O)N1CCCCC1C)=O
InChI:   InChI=1/C23H27NO5/c1-17-8-6-7-13-24(17)22(25)16-29-23(26)19-11-12-20(21(14-19)27-2)28-15-18-9-4-3-5-10-18/h3-5,9-12,14,17H,6-8,13,15-16H2,1-2H3/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -4.78321  SlogP: 4.0984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251142  Sterimol/B1: 2.36934  Sterimol/B2: 3.06574  Sterimol/B3: 4.26788
  Sterimol/B4: 9.15513  Sterimol/L: 22.0582 
 
 Surface and Volume Properties
  Accessible surface: 718.35  Positive charged surface: 506.105  Negative charged surface: 212.245  Volume: 389.125
  Hydrophobic surface: 628.706  Hydrophilic surface: 89.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.