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IBS-ZINC01447944

 MMsINC code: MMs01767949
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(C)c1ccccc1-c1c(n[nH]c1C)-c1ccc(OCc2ccccc2)cc1O
InChI:   InChI=1/C24H22N2O3/c1-16-23(20-10-6-7-11-22(20)28-2)24(26-25-16)19-13-12-18(14-21(19)27)29-15-17-8-4-3-5-9-17/h3-14,27H,15H2,1-2H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=135.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -6.46258  SlogP: 5.61172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104616  Sterimol/B1: 4.2392  Sterimol/B2: 4.93144  Sterimol/B3: 5.65306
  Sterimol/B4: 6.56085  Sterimol/L: 18.5765 
 
 Surface and Volume Properties
  Accessible surface: 674.449  Positive charged surface: 440.048  Negative charged surface: 234.401  Volume: 379.5
  Hydrophobic surface: 563.308  Hydrophilic surface: 111.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.