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AURORAFEINCHEMIE-ZINC05246595

 MMsINC code: MMs00473158
Type: Neutral
Formula: C24H29N3O3
SMILES:   O(C)c1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)C1NCc2c(C1)cccc2
InChI:   InChI=1/C24H29N3O3/c1-30-21-8-6-17(7-9-21)15-26-23(28)18-10-12-27(13-11-18)24(29)22-14-19-4-2-3-5-20(19)16-25-22/h2-9,18,22,25H,10-16H2,1H3,(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.5155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.514 g/mol  logS: -3.67554  SlogP: 2.79727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060308  Sterimol/B1: 2.24423  Sterimol/B2: 3.80081  Sterimol/B3: 4.22806
  Sterimol/B4: 9.77809  Sterimol/L: 18.4809 
 
 Surface and Volume Properties
  Accessible surface: 720.545  Positive charged surface: 504.645  Negative charged surface: 215.899  Volume: 404.875
  Hydrophobic surface: 611.253  Hydrophilic surface: 109.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.