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ENAMINE-ZINC03610658

 MMsINC code: MMs01523896
Type: Neutral
Formula: C24H23N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC1(C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H23N3O3/c1-16(17-9-4-3-5-10-17)25-21(28)15-27-22(29)24(2,26-23(27)30)20-14-8-12-18-11-6-7-13-19(18)20/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,30)/t16-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -6.27516  SlogP: 3.8912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135681  Sterimol/B1: 3.11115  Sterimol/B2: 4.6281  Sterimol/B3: 6.48872
  Sterimol/B4: 6.6399  Sterimol/L: 16.2688 
 
 Surface and Volume Properties
  Accessible surface: 670.433  Positive charged surface: 378.739  Negative charged surface: 283.008  Volume: 386.75
  Hydrophobic surface: 524.305  Hydrophilic surface: 146.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.