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CHEMBLOCK-ZINC02205028

 MMsINC code: MMs00530522
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C(=O)C(=O)N(C1CC(N(c2c1cccc2)C(=O)C(C)C)C)c1ccccc1)CC
InChI:   InChI=1/C24H28N2O4/c1-5-30-24(29)23(28)26(18-11-7-6-8-12-18)21-15-17(4)25(22(27)16(2)3)20-14-10-9-13-19(20)21/h6-14,16-17,21H,5,15H2,1-4H3/t17-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=225.631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.16908  SlogP: 4.2007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218541  Sterimol/B1: 2.1244  Sterimol/B2: 4.05463  Sterimol/B3: 6.74219
  Sterimol/B4: 9.69479  Sterimol/L: 15.3182 
 
 Surface and Volume Properties
  Accessible surface: 673.883  Positive charged surface: 429.382  Negative charged surface: 244.501  Volume: 397.25
  Hydrophobic surface: 538.809  Hydrophilic surface: 135.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.