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CHEMDIV-ZINC04372656

 MMsINC code: MMs00935161
Type: Neutral
Formula: C25H17NO2
SMILES:   O=C1N(Cc2c3c(ccc2)cccc3)C(=O)c2c3c1ccc1CCc(c13)cc2
InChI:   InChI=1/C25H17NO2/c27-24-20-12-10-16-8-9-17-11-13-21(23(20)22(16)17)25(28)26(24)14-18-6-3-5-15-4-1-2-7-19(15)18/h1-7,10-13H,8-9,14H2

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Potential Energy
Epot(MMFF94)=102.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.416 g/mol  logS: -8.30419  SlogP: 5.15414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933779  Sterimol/B1: 3.60796  Sterimol/B2: 4.71295  Sterimol/B3: 4.95624
  Sterimol/B4: 5.01439  Sterimol/L: 17.4026 
 
 Surface and Volume Properties
  Accessible surface: 585.297  Positive charged surface: 315.267  Negative charged surface: 249.853  Volume: 345.625
  Hydrophobic surface: 524.944  Hydrophilic surface: 60.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.