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ENAMINE-ZINC02652840

 MMsINC code: MMs01276601
Type: Neutral
Formula: C18H16N2O5
SMILES:   o1c(C)c(cc1C)C(=O)n1ncc(c1)C(=O)c1cc(OC)ccc1O
InChI:   InChI=1/C18H16N2O5/c1-10-6-14(11(2)25-10)18(23)20-9-12(8-19-20)17(22)15-7-13(24-3)4-5-16(15)21/h4-9,21H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.335 g/mol  logS: -3.85681  SlogP: 2.72664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568787  Sterimol/B1: 1.97559  Sterimol/B2: 3.93166  Sterimol/B3: 4.00691
  Sterimol/B4: 8.11169  Sterimol/L: 17.5624 
 
 Surface and Volume Properties
  Accessible surface: 603.314  Positive charged surface: 364.078  Negative charged surface: 239.237  Volume: 312
  Hydrophobic surface: 452.519  Hydrophilic surface: 150.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.