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ENAMINE-ZINC03397573

 MMsINC code: MMs01418052
Type: Neutral
Formula: C16H21NO5
SMILES:   O(C)c1cccc(OC)c1C(OCC(=O)NC1CCCC1)=O
InChI:   InChI=1/C16H21NO5/c1-20-12-8-5-9-13(21-2)15(12)16(19)22-10-14(18)17-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.346 g/mol  logS: -2.99586  SlogP: 1.9194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428998  Sterimol/B1: 2.29409  Sterimol/B2: 3.67588  Sterimol/B3: 3.80153
  Sterimol/B4: 9.54967  Sterimol/L: 16.6121 
 
 Surface and Volume Properties
  Accessible surface: 598.159  Positive charged surface: 448.742  Negative charged surface: 149.418  Volume: 296.625
  Hydrophobic surface: 510.409  Hydrophilic surface: 87.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.