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CHEMDIV-ZINC05067693

 MMsINC code: MMs00986659
Type: Neutral
Formula: C23H26N2O3
SMILES:   O(CCCC(=O)Nc1ccc(cc1)C(C)C)C1=CC(=O)N(c2c1cccc2)C
InChI:   InChI=1/C23H26N2O3/c1-16(2)17-10-12-18(13-11-17)24-22(26)9-6-14-28-21-15-23(27)25(3)20-8-5-4-7-19(20)21/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -5.78009  SlogP: 4.5628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140012  Sterimol/B1: 2.49123  Sterimol/B2: 4.15063  Sterimol/B3: 4.72607
  Sterimol/B4: 5.7225  Sterimol/L: 21.8797 
 
 Surface and Volume Properties
  Accessible surface: 698.517  Positive charged surface: 474.376  Negative charged surface: 224.141  Volume: 380
  Hydrophobic surface: 576.666  Hydrophilic surface: 121.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.