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PUBCHEM-ZINC04763246

 MMsINC code: MMs03167880
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(CCCC)C(=O)NC(Cc1ccccc1)C(OC)=O
InChI:   InChI=1/C24H30N2O5/c1-3-4-15-20(26-24(29)31-17-19-13-9-6-10-14-19)22(27)25-21(23(28)30-2)16-18-11-7-5-8-12-18/h5-14,20-21H,3-4,15-17H2,1-2H3,(H,25,27)(H,26,29)/t20-,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.1085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.57736  SlogP: 3.63847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191026  Sterimol/B1: 2.57164  Sterimol/B2: 3.0617  Sterimol/B3: 8.53545
  Sterimol/B4: 10.5688  Sterimol/L: 17.6702 
 
 Surface and Volume Properties
  Accessible surface: 772.859  Positive charged surface: 513.948  Negative charged surface: 258.911  Volume: 425.5
  Hydrophobic surface: 645.886  Hydrophilic surface: 126.973
 
 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.