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CHEMBRIDGE-ZINC00367735

 MMsINC code: MMs00610556
Type: Neutral
Formula: C23H21NO2
SMILES:   O=C(c1cc(C)c(cc1)C)c1cc(NC(=O)c2cc(ccc2)C)ccc1
InChI:   InChI=1/C23H21NO2/c1-15-6-4-8-20(12-15)23(26)24-21-9-5-7-18(14-21)22(25)19-11-10-16(2)17(3)13-19/h4-14H,1-3H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.426 g/mol  logS: -6.84944  SlogP: 5.09516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387896  Sterimol/B1: 2.33685  Sterimol/B2: 3.23078  Sterimol/B3: 4.69206
  Sterimol/B4: 7.55308  Sterimol/L: 19.3735 
 
 Surface and Volume Properties
  Accessible surface: 628.067  Positive charged surface: 351.001  Negative charged surface: 277.066  Volume: 348.125
  Hydrophobic surface: 555.308  Hydrophilic surface: 72.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.