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IBS-ZINC05209912

 MMsINC code: MMs01931389
Type: Neutral
Formula: C25H24N2O2
SMILES:   O(Cc1cc(ccc1C)C)c1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccccc1
InChI:   InChI=1/C25H24N2O2/c1-16-9-10-17(2)20(13-16)15-29-21-11-12-22(23(28)14-21)25-24(18(3)26-27-25)19-7-5-4-6-8-19/h4-14,28H,15H2,1-3H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=111.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -7.36004  SlogP: 6.21996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553254  Sterimol/B1: 3.54521  Sterimol/B2: 3.65068  Sterimol/B3: 4.88265
  Sterimol/B4: 7.65364  Sterimol/L: 18.6644 
 
 Surface and Volume Properties
  Accessible surface: 682.086  Positive charged surface: 418.349  Negative charged surface: 263.737  Volume: 386.75
  Hydrophobic surface: 574.42  Hydrophilic surface: 107.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.