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ASINEX-ZINC04697184

 MMsINC code: MMs00360778
Type: Neutral
Formula: C22H19NO3
SMILES:   O=C1C2C3C(C(C1)c1c2cccc1)C(=O)N(c1ccccc1CC)C3=O
InChI:   InChI=1/C22H19NO3/c1-2-12-7-3-6-10-16(12)23-21(25)19-15-11-17(24)18(20(19)22(23)26)14-9-5-4-8-13(14)15/h3-10,15,18-20H,2,11H2,1H3/t15-,18-,19-,20-/m0/s1

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Potential Energy
Epot(MMFF94)=144.847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.398 g/mol  logS: -4.33025  SlogP: 3.20837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130221  Sterimol/B1: 2.54545  Sterimol/B2: 3.32902  Sterimol/B3: 4.75116
  Sterimol/B4: 7.49964  Sterimol/L: 14.2311 
 
 Surface and Volume Properties
  Accessible surface: 560.216  Positive charged surface: 301.129  Negative charged surface: 259.087  Volume: 327
  Hydrophobic surface: 442.216  Hydrophilic surface: 118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.