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ENAMINE-ZINC04549707

 MMsINC code: MMs01547036
Type: Neutral
Formula: C24H29NO5
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)C(OCC(=O)N1CCCCC1CC)=O
InChI:   InChI=1/C24H29NO5/c1-3-20-11-7-8-14-25(20)23(26)17-30-24(27)19-12-13-21(22(15-19)28-2)29-16-18-9-5-4-6-10-18/h4-6,9-10,12-13,15,20H,3,7-8,11,14,16-17H2,1-2H3/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.498 g/mol  logS: -4.98498  SlogP: 4.4885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0248544  Sterimol/B1: 2.40189  Sterimol/B2: 3.05913  Sterimol/B3: 4.26694
  Sterimol/B4: 9.91012  Sterimol/L: 21.9657 
 
 Surface and Volume Properties
  Accessible surface: 743.361  Positive charged surface: 517.053  Negative charged surface: 226.307  Volume: 405.375
  Hydrophobic surface: 644.804  Hydrophilic surface: 98.557
 
 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.