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ASINEX-ZINC00852707

 MMsINC code: MMs00193293
Type: Neutral
Formula: C25H19NO2
SMILES:   O=C1N(c2ccccc2C)C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
InChI:   InChI=1/C25H19NO2/c1-14-8-2-7-13-19(14)26-24(27)22-20-15-9-3-4-10-16(15)21(23(22)25(26)28)18-12-6-5-11-17(18)20/h2-13,20-23H,1H3/t20-,21+,22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.432 g/mol  logS: -5.34322  SlogP: 4.39162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137682  Sterimol/B1: 2.80118  Sterimol/B2: 3.82481  Sterimol/B3: 4.27207
  Sterimol/B4: 8.05955  Sterimol/L: 14.7211 
 
 Surface and Volume Properties
  Accessible surface: 599.333  Positive charged surface: 318.012  Negative charged surface: 281.321  Volume: 351.125
  Hydrophobic surface: 534.848  Hydrophilic surface: 64.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.