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ENAMINE-ZINC03448585

 MMsINC code: MMs01448956
Type: Neutral
Formula: C23H24N2O4
SMILES:   O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(OCC(=O)NC(CC)C)=O
InChI:   InChI=1/C23H24N2O4/c1-4-15(2)24-22(26)14-29-23(27)19-13-21(16-9-11-17(28-3)12-10-16)25-20-8-6-5-7-18(19)20/h5-13,15H,4,14H2,1-3H3,(H,24,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -5.82947  SlogP: 3.9819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332675  Sterimol/B1: 2.12679  Sterimol/B2: 5.49787  Sterimol/B3: 7.88798
  Sterimol/B4: 8.22324  Sterimol/L: 17.3896 
 
 Surface and Volume Properties
  Accessible surface: 705.208  Positive charged surface: 453.067  Negative charged surface: 241.342  Volume: 385.625
  Hydrophobic surface: 565.132  Hydrophilic surface: 140.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.