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ASINEX-ZINC04982208

 MMsINC code: MMs00421533
Type: Neutral
Formula: C24H35N3O4
SMILES:   O(C(=O)C1CCN(CC1)C(=O)C1(NC(=O)Nc2c(cccc2C)C)CCCCC1)CC
InChI:   InChI=1/C24H35N3O4/c1-4-31-21(28)19-11-15-27(16-12-19)22(29)24(13-6-5-7-14-24)26-23(30)25-20-17(2)9-8-10-18(20)3/h8-10,19H,4-7,11-16H2,1-3H3,(H2,25,26,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.561 g/mol  logS: -4.33109  SlogP: 3.92954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142129  Sterimol/B1: 2.29072  Sterimol/B2: 5.88047  Sterimol/B3: 6.54179
  Sterimol/B4: 7.85144  Sterimol/L: 17.2901 
 
 Surface and Volume Properties
  Accessible surface: 704.279  Positive charged surface: 498.758  Negative charged surface: 205.52  Volume: 428
  Hydrophobic surface: 601.513  Hydrophilic surface: 102.766
 
 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.