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ASINEX-ZINC02066844

 MMsINC code: MMs00262763
Type: Neutral
Formula: C25H30N2O4
SMILES:   O(CCCCCC)c1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCC)cc1
InChI:   InChI=1/C25H30N2O4/c1-3-5-6-9-17-31-19-14-12-18(13-15-19)26-24(29)22-23(28)20-10-7-8-11-21(20)27(16-4-2)25(22)30/h7-8,10-15,28H,3-6,9,16-17H2,1-2H3,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.0756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.525 g/mol  logS: -6.4433  SlogP: 5.3101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128939  Sterimol/B1: 2.44036  Sterimol/B2: 3.46377  Sterimol/B3: 4.8955
  Sterimol/B4: 6.49696  Sterimol/L: 23.8939 
 
 Surface and Volume Properties
  Accessible surface: 767.245  Positive charged surface: 513.031  Negative charged surface: 254.214  Volume: 419.5
  Hydrophobic surface: 623.479  Hydrophilic surface: 143.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.