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ENAMINE-ZINC03443852

 MMsINC code: MMs01445972
Type: Neutral
Formula: C27H25NO2
SMILES:   O(Cc1cc(ccc1)C)c1ccccc1C(=O)NC(C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C27H25NO2/c1-19-8-7-9-21(16-19)18-30-26-13-6-5-12-25(26)27(29)28-20(2)23-15-14-22-10-3-4-11-24(22)17-23/h3-17,20H,18H2,1-2H3,(H,28,29)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.04 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.502 g/mol  logS: -7.7962  SlogP: 6.58012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706387  Sterimol/B1: 2.61247  Sterimol/B2: 2.78325  Sterimol/B3: 5.98072
  Sterimol/B4: 9.54911  Sterimol/L: 19.7754 
 
 Surface and Volume Properties
  Accessible surface: 723.112  Positive charged surface: 409.819  Negative charged surface: 302.241  Volume: 404.875
  Hydrophobic surface: 672.615  Hydrophilic surface: 50.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.