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ASINEX-ZINC00784052

 MMsINC code: MMs00162822
Type: Neutral
Formula: C23H25NO3
SMILES:   OC1(c2c(N(C)C1=O)cccc2)CC(=O)c1ccc(cc1)C1CCCCC1
InChI:   InChI=1/C23H25NO3/c1-24-20-10-6-5-9-19(20)23(27,22(24)26)15-21(25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-14,16,27H,2-4,7-8,15H2,1H3/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=93.4827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.457 g/mol  logS: -6.32999  SlogP: 4.4828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662518  Sterimol/B1: 2.50491  Sterimol/B2: 2.62068  Sterimol/B3: 5.68124
  Sterimol/B4: 7.43359  Sterimol/L: 18.0991 
 
 Surface and Volume Properties
  Accessible surface: 641.622  Positive charged surface: 432.268  Negative charged surface: 209.353  Volume: 362.5
  Hydrophobic surface: 564.844  Hydrophilic surface: 76.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.