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PUBCHEM-ZINC02020415

 MMsINC code: MMs02855785
Type: Neutral
Formula: C23H22N2O3
SMILES:   Oc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C23H22N2O3/c26-21-14-8-7-13-19(21)22(27)25-20(15-17-9-3-1-4-10-17)23(28)24-16-18-11-5-2-6-12-18/h1-14,20,26H,15-16H2,(H,24,28)(H,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.44 g/mol  logS: -4.9389  SlogP: 3.31607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677144  Sterimol/B1: 2.43532  Sterimol/B2: 3.30398  Sterimol/B3: 4.15112
  Sterimol/B4: 9.18302  Sterimol/L: 18.1891 
 
 Surface and Volume Properties
  Accessible surface: 651.757  Positive charged surface: 384.917  Negative charged surface: 266.84  Volume: 366.75
  Hydrophobic surface: 558.111  Hydrophilic surface: 93.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.