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ENAMINE-ZINC03461526

 MMsINC code: MMs01457409
Type: Neutral
Formula: C23H27N3O3
SMILES:   O=C1N(CC(=O)NC(CCc2ccccc2)C)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C23H27N3O3/c1-16-9-13-19(14-10-16)23(3)21(28)26(22(29)25-23)15-20(27)24-17(2)11-12-18-7-5-4-6-8-18/h4-10,13-14,17H,11-12,15H2,1-3H3,(H,24,27)(H,25,29)/t17-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.487 g/mol  logS: -5.13444  SlogP: 3.21099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484207  Sterimol/B1: 2.44966  Sterimol/B2: 3.25174  Sterimol/B3: 4.71213
  Sterimol/B4: 7.85102  Sterimol/L: 20.4595 
 
 Surface and Volume Properties
  Accessible surface: 708.492  Positive charged surface: 424.216  Negative charged surface: 284.275  Volume: 392.125
  Hydrophobic surface: 555.915  Hydrophilic surface: 152.577
 
 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.