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CHEMBLOCK-ZINC00129339

 MMsINC code: MMs00500902
Type: Neutral
Formula: C14H22N2O3
SMILES:   o1cccc1C(=O)NC1CC(N(O)C(C1)(C)C)(C)C
InChI:   InChI=1/C14H22N2O3/c1-13(2)8-10(9-14(3,4)16(13)18)15-12(17)11-6-5-7-19-11/h5-7,10,18H,8-9H2,1-4H3,(H,15,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.2162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -2.71413  SlogP: 2.4202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122008  Sterimol/B1: 2.02174  Sterimol/B2: 3.42011  Sterimol/B3: 5.36638
  Sterimol/B4: 6.08694  Sterimol/L: 14.4788 
 
 Surface and Volume Properties
  Accessible surface: 496.864  Positive charged surface: 312.711  Negative charged surface: 184.153  Volume: 265
  Hydrophobic surface: 354.107  Hydrophilic surface: 142.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.