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ENAMINE-ZINC03538173

 MMsINC code: MMs01497291
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)C2C1CCCC2
InChI:   InChI=1/C23H24N2O3/c26-20(15-25-22(27)18-13-7-8-14-19(18)23(25)28)24-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18-19,21H,7-8,13-15H2,(H,24,26)/t18-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.4122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -4.99742  SlogP: 3.1629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086422  Sterimol/B1: 2.12783  Sterimol/B2: 3.81491  Sterimol/B3: 3.87483
  Sterimol/B4: 8.90145  Sterimol/L: 17.3735 
 
 Surface and Volume Properties
  Accessible surface: 656.376  Positive charged surface: 396.948  Negative charged surface: 259.428  Volume: 368.875
  Hydrophobic surface: 555.389  Hydrophilic surface: 100.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.