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CHEMBRIDGE-ZINC04997525

 MMsINC code: MMs00824582
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(C(CC)C(=O)NCCCCNC(=O)C(Oc1ccccc1)CC)c1ccccc1
InChI:   InChI=1/C24H32N2O4/c1-3-21(29-19-13-7-5-8-14-19)23(27)25-17-11-12-18-26-24(28)22(4-2)30-20-15-9-6-10-16-20/h5-10,13-16,21-22H,3-4,11-12,17-18H2,1-2H3,(H,25,27)(H,26,28)/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -5.08662  SlogP: 3.7142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345214  Sterimol/B1: 2.41384  Sterimol/B2: 2.93625  Sterimol/B3: 5.3514
  Sterimol/B4: 5.71589  Sterimol/L: 24.696 
 
 Surface and Volume Properties
  Accessible surface: 783.593  Positive charged surface: 509.912  Negative charged surface: 273.681  Volume: 418.25
  Hydrophobic surface: 647.174  Hydrophilic surface: 136.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.