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CHEMBRIDGE-ZINC00990513

 MMsINC code: MMs00650157
Type: Neutral
Formula: C26H19NO3
SMILES:   O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1cc(ccc1)C(=O)C
InChI:   InChI=1/C26H19NO3/c1-14(28)15-7-6-8-16(13-15)27-25(29)23-21-17-9-2-3-10-18(17)22(24(23)26(27)30)20-12-5-4-11-19(20)21/h2-13,21-24H,1H3/t21-,22+,23-,24+

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Potential Energy
Epot(MMFF94)=119.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.442 g/mol  logS: -5.49502  SlogP: 4.2858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105518  Sterimol/B1: 3.39558  Sterimol/B2: 4.22312  Sterimol/B3: 4.41585
  Sterimol/B4: 7.03028  Sterimol/L: 17.4504 
 
 Surface and Volume Properties
  Accessible surface: 612.656  Positive charged surface: 341.794  Negative charged surface: 270.862  Volume: 370.75
  Hydrophobic surface: 511.905  Hydrophilic surface: 100.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.