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CHEMDIV-ZINC04903137

 MMsINC code: MMs00962580
Type: Neutral
Formula: C26H26N2O2
SMILES:   O=C1N(Cc2ccc(cc2)CC)C(c2c1cccc2)C(=O)NCCc1ccccc1
InChI:   InChI=1/C26H26N2O2/c1-2-19-12-14-21(15-13-19)18-28-24(22-10-6-7-11-23(22)26(28)30)25(29)27-17-16-20-8-4-3-5-9-20/h3-15,24H,2,16-18H2,1H3,(H,27,29)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.3835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.506 g/mol  logS: -6.3064  SlogP: 4.66684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656442  Sterimol/B1: 2.26283  Sterimol/B2: 3.18484  Sterimol/B3: 4.78196
  Sterimol/B4: 11.5766  Sterimol/L: 19.0421 
 
 Surface and Volume Properties
  Accessible surface: 725.221  Positive charged surface: 429.628  Negative charged surface: 295.593  Volume: 407.125
  Hydrophobic surface: 633.955  Hydrophilic surface: 91.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.