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CHEMDIV-ZINC06745054

 MMsINC code: MMs01008818
Type: Neutral
Formula: C24H28N2O3
SMILES:   O(C)c1ccc(cc1NC(=O)C(=O)NCC(CC=C)(CC=C)c1ccccc1)C
InChI:   InChI=1/C24H28N2O3/c1-5-14-24(15-6-2,19-10-8-7-9-11-19)17-25-22(27)23(28)26-20-16-18(3)12-13-21(20)29-4/h5-13,16H,1-2,14-15,17H2,3-4H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -5.87243  SlogP: 4.14852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882954  Sterimol/B1: 2.07697  Sterimol/B2: 4.39258  Sterimol/B3: 5.63106
  Sterimol/B4: 8.74331  Sterimol/L: 18.5408 
 
 Surface and Volume Properties
  Accessible surface: 704.252  Positive charged surface: 441.85  Negative charged surface: 262.402  Volume: 401.125
  Hydrophobic surface: 549.386  Hydrophilic surface: 154.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.