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CHEMBLOCK-ZINC02205024

 MMsINC code: MMs00530519
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=307.188 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: 0.215082  Sterimol/B1: 2.01222  Sterimol/B2: 3.04486  Sterimol/B3: 6.82993
  Sterimol/B4: 9.56992  Sterimol/L: 15.2607 
 
 Surface and Volume Properties
  Accessible surface: 658.791  Positive charged surface: 428.449  Negative charged surface: 230.342  Volume: 393.875
  Hydrophobic surface: 528.753  Hydrophilic surface: 130.038
 
 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.