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ENAMINE-ZINC06890334

 MMsINC code: MMs01711864
Type: Neutral
Formula: C24H29NO3
SMILES:   O(C(=O)Cc1ccc(cc1)-c1ccccc1)CC(=O)NC1CCCCCCC1
InChI:   InChI=1/C24H29NO3/c26-23(25-22-11-7-2-1-3-8-12-22)18-28-24(27)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-6,9-10,13-16,22H,1-3,7-8,11-12,17-18H2,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.6 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.5 g/mol  logS: -6.92861  SlogP: 4.66837  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0309924  Sterimol/B1: 2.49847  Sterimol/B2: 3.88235  Sterimol/B3: 4.22587
  Sterimol/B4: 4.99591  Sterimol/L: 22.6385 
 
 Surface and Volume Properties
  Accessible surface: 706.964  Positive charged surface: 444.367  Negative charged surface: 251.526  Volume: 386.125
  Hydrophobic surface: 626.357  Hydrophilic surface: 80.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.