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CHEMBRIDGE-ZINC02735092

 MMsINC code: MMs00714281
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(CCCNC(=O)c1ccc(NC(=O)C)cc1)CC
InChI:   InChI=1/C14H20N2O3/c1-3-19-10-4-9-15-14(18)12-5-7-13(8-6-12)16-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.7712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.41208  SlogP: 1.8014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112763  Sterimol/B1: 2.40961  Sterimol/B2: 2.50704  Sterimol/B3: 2.68916
  Sterimol/B4: 5.57831  Sterimol/L: 20.4189 
 
 Surface and Volume Properties
  Accessible surface: 557.832  Positive charged surface: 388.88  Negative charged surface: 168.951  Volume: 266.125
  Hydrophobic surface: 431.398  Hydrophilic surface: 126.434
 
 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.