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ASINEX-ZINC04967377

 MMsINC code: MMs00416203
Type: Neutral
Formula: C24H27N3O4
SMILES:   O(C)c1cc(ccc1)C(=O)NC1CCN(CC1)CCCN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C24H27N3O4/c1-31-19-7-4-6-17(16-19)22(28)25-18-10-14-26(15-11-18)12-5-13-27-23(29)20-8-2-3-9-21(20)24(27)30/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.1823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.497 g/mol  logS: -4.57762  SlogP: 2.5757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430902  Sterimol/B1: 3.17047  Sterimol/B2: 3.49113  Sterimol/B3: 4.91259
  Sterimol/B4: 7.58178  Sterimol/L: 22.5977 
 
 Surface and Volume Properties
  Accessible surface: 743.16  Positive charged surface: 498.394  Negative charged surface: 244.766  Volume: 404.75
  Hydrophobic surface: 619.403  Hydrophilic surface: 123.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00416204
ASINEX-ZINC04967377