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PUBCHEM-ZINC06255695

 MMsINC code: MMs03641126
Type: Neutral
Formula: C19H30N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCC(C)C)C)Cc1ccccc1)C
InChI:   InChI=1/C19H30N2O3/c1-14(2)9-8-10-15(3)20-19(23)21-17(18(22)24-4)13-16-11-6-5-7-12-16/h5-7,11-12,14-15,17H,8-10,13H2,1-4H3,(H2,20,21,23)/t15-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.46 g/mol  logS: -4.75894  SlogP: 3.28467  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114501  Sterimol/B1: 2.39414  Sterimol/B2: 5.82353  Sterimol/B3: 5.92422
  Sterimol/B4: 6.5886  Sterimol/L: 16.9755 
 
 Surface and Volume Properties
  Accessible surface: 669.892  Positive charged surface: 477.009  Negative charged surface: 192.883  Volume: 356.375
  Hydrophobic surface: 544.191  Hydrophilic surface: 125.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.