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ASINEX-ZINC04910441

 MMsINC code: MMs00403523
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)NC1CCNCC1
InChI:   InChI=1/C14H20N2O3/c1-18-12-7-10(8-13(9-12)19-2)14(17)16-11-3-5-15-6-4-11/h7-9,11,15H,3-6H2,1-2H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -1.95109  SlogP: 1.1856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042738  Sterimol/B1: 2.36424  Sterimol/B2: 3.17691  Sterimol/B3: 3.53437
  Sterimol/B4: 6.99693  Sterimol/L: 15.2634 
 
 Surface and Volume Properties
  Accessible surface: 516.646  Positive charged surface: 414.816  Negative charged surface: 101.83  Volume: 260.625
  Hydrophobic surface: 431.692  Hydrophilic surface: 84.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00403524
ASINEX-ZINC04910441