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IBS-ZINC05219478

 MMsINC code: MMs01932732
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(Cc1ccccc1)c1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccc(OC)cc1
InChI:   InChI=1/C24H22N2O3/c1-16-23(18-8-10-19(28-2)11-9-18)24(26-25-16)21-13-12-20(14-22(21)27)29-15-17-6-4-3-5-7-17/h3-14,27H,15H2,1-2H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=118.618 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: 0.0695701  Sterimol/B1: 3.60436  Sterimol/B2: 3.98956  Sterimol/B3: 4.40177
  Sterimol/B4: 8.90225  Sterimol/L: 18.4647 
 
 Surface and Volume Properties
  Accessible surface: 681.113  Positive charged surface: 439.186  Negative charged surface: 241.927  Volume: 379
  Hydrophobic surface: 557.937  Hydrophilic surface: 123.176
 
 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.