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ASINEX-ZINC04902365

 MMsINC code: MMs00399350
Type: Neutral
Formula: C20H30N2O4
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)C
InChI:   InChI=1/C20H30N2O4/c1-13(2)11-17(21-15(5)23)19(24)22-18(14(3)4)20(25)26-12-16-9-7-6-8-10-16/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,21,23)(H,22,24)/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.47 g/mol  logS: -4.40928  SlogP: 2.6878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595766  Sterimol/B1: 1.969  Sterimol/B2: 3.62277  Sterimol/B3: 5.69253
  Sterimol/B4: 6.91416  Sterimol/L: 19.2217 
 
 Surface and Volume Properties
  Accessible surface: 667.62  Positive charged surface: 441.07  Negative charged surface: 226.55  Volume: 367.625
  Hydrophobic surface: 510.036  Hydrophilic surface: 157.584
 
 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.