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ENAMINE-ZINC06053347

 MMsINC code: MMs01652188
Type: Neutral
Formula: C23H24N2O3
SMILES:   O(Cc1ccccc1)c1cc(ccc1)C1NC(=O)NC2=C1C(=O)CC(C2)(C)C
InChI:   InChI=1/C23H24N2O3/c1-23(2)12-18-20(19(26)13-23)21(25-22(27)24-18)16-9-6-10-17(11-16)28-14-15-7-4-3-5-8-15/h3-11,21H,12-14H2,1-2H3,(H2,24,25,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.39655  SlogP: 4.6246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0773381  Sterimol/B1: 3.04289  Sterimol/B2: 3.90218  Sterimol/B3: 5.15054
  Sterimol/B4: 7.1849  Sterimol/L: 17.1562 
 
 Surface and Volume Properties
  Accessible surface: 640.102  Positive charged surface: 391.571  Negative charged surface: 248.531  Volume: 365.25
  Hydrophobic surface: 484.489  Hydrophilic surface: 155.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.