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NANOSIN-ZINC04425326

 MMsINC code: MMs02206915
Type: Neutral
Formula: C26H26N2O4
SMILES:   O(Cc1ccccc1)C(=O)CCC(NC(=O)c1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C26H26N2O4/c29-24(32-19-21-12-6-2-7-13-21)17-16-23(28-25(30)22-14-8-3-9-15-22)26(31)27-18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,27,31)(H,28,30)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.504 g/mol  logS: -5.73124  SlogP: 4.1578  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0635241  Sterimol/B1: 2.3978  Sterimol/B2: 3.48034  Sterimol/B3: 3.98904
  Sterimol/B4: 12.97  Sterimol/L: 19.4319 
 
 Surface and Volume Properties
  Accessible surface: 793.141  Positive charged surface: 460.332  Negative charged surface: 332.809  Volume: 424.125
  Hydrophobic surface: 686.1  Hydrophilic surface: 107.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.