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ENAMINE-ZINC03313583

 MMsINC code: MMs01365461
Type: Neutral
Formula: C17H26N2O3
SMILES:   O(CCNC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)C)C)C
InChI:   InChI=1/C17H26N2O3/c1-12(15(20)18-10-11-22-5)19-16(21)13-6-8-14(9-7-13)17(2,3)4/h6-9,12H,10-11H2,1-5H3,(H,18,20)(H,19,21)/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.406 g/mol  logS: -4.19301  SlogP: 1.865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389533  Sterimol/B1: 2.334  Sterimol/B2: 2.63171  Sterimol/B3: 5.30469
  Sterimol/B4: 5.52664  Sterimol/L: 19.5526 
 
 Surface and Volume Properties
  Accessible surface: 611.53  Positive charged surface: 434.564  Negative charged surface: 176.966  Volume: 316.125
  Hydrophobic surface: 459.671  Hydrophilic surface: 151.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.