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ENAMINE-ZINC03373034

 MMsINC code: MMs01402866
Type: Neutral
Formula: C21H23N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C21H23N3O3/c1-14-9-11-17(12-10-14)21(3)19(26)24(20(27)23-21)13-18(25)22-15(2)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3,(H,22,25)(H,23,27)/t15-,21+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.5072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.433 g/mol  logS: -4.8712  SlogP: 3.04642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728213  Sterimol/B1: 2.21803  Sterimol/B2: 3.78929  Sterimol/B3: 3.92212
  Sterimol/B4: 8.67549  Sterimol/L: 17.9774 
 
 Surface and Volume Properties
  Accessible surface: 640.272  Positive charged surface: 379.604  Negative charged surface: 260.668  Volume: 358.25
  Hydrophobic surface: 490.915  Hydrophilic surface: 149.357
 
 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.