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NCID-ZINC01661281

 MMsINC code: MMs02298415
Type: Neutral
Formula: C11H15NO3
SMILES:   O(CCO)C(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C11H15NO3/c1-12(11(14)15-8-7-13)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.245 g/mol  logS: -1.2993  SlogP: 1.5137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104057  Sterimol/B1: 2.2736  Sterimol/B2: 2.95402  Sterimol/B3: 4.07111
  Sterimol/B4: 6.54656  Sterimol/L: 13.459 
 
 Surface and Volume Properties
  Accessible surface: 443.078  Positive charged surface: 327.549  Negative charged surface: 115.529  Volume: 210.5
  Hydrophobic surface: 357.953  Hydrophilic surface: 85.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.