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CHEMBRIDGE-ZINC01155702

 MMsINC code: MMs00673989
Type: Neutral
Formula: C23H20N2O3
SMILES:   O(c1c[nH]nc1-c1cc(CC)c(O)cc1O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C23H20N2O3/c1-2-15-12-19(21(27)13-20(15)26)23-22(14-24-25-23)28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,26-27H,2H2,1H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=114.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.424 g/mol  logS: -6.37698  SlogP: 5.50957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663316  Sterimol/B1: 2.57431  Sterimol/B2: 3.31187  Sterimol/B3: 4.27638
  Sterimol/B4: 8.12818  Sterimol/L: 19.0672 
 
 Surface and Volume Properties
  Accessible surface: 651.648  Positive charged surface: 373.168  Negative charged surface: 267.953  Volume: 361.25
  Hydrophobic surface: 468.188  Hydrophilic surface: 183.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.