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ASINEX-ZINC00778176

 MMsINC code: MMs00157866
Type: Neutral
Formula: C23H24N2O2
SMILES:   OC(Cc1ccccc1)(Cc1ccccc1)C(=O)NNc1ccccc1C
InChI:   InChI=1/C23H24N2O2/c1-18-10-8-9-15-21(18)24-25-22(26)23(27,16-19-11-4-2-5-12-19)17-20-13-6-3-7-14-20/h2-15,24,27H,16-17H2,1H3,(H,25,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -4.90093  SlogP: 3.65456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113967  Sterimol/B1: 2.38903  Sterimol/B2: 3.11654  Sterimol/B3: 4.94283
  Sterimol/B4: 8.20787  Sterimol/L: 17.0985 
 
 Surface and Volume Properties
  Accessible surface: 620.399  Positive charged surface: 361.404  Negative charged surface: 258.995  Volume: 368.375
  Hydrophobic surface: 565.765  Hydrophilic surface: 54.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.