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ASINEX-ZINC01342233

 MMsINC code: MMs00240324
Type: Neutral
Formula: C24H25N3O5
SMILES:   O1CCCC1CN(CC1=Cc2c(NC1=O)cc1OCOc1c2)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H25N3O5/c28-23-18(9-17-10-21-22(32-15-31-21)11-20(17)26-23)13-27(14-19-7-4-8-30-19)24(29)25-12-16-5-2-1-3-6-16/h1-3,5-6,9-11,19H,4,7-8,12-15H2,(H,25,29)(H,26,28)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=62.93 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.48 g/mol  logS: -4.5506  SlogP: 3.408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111723  Sterimol/B1: 2.42882  Sterimol/B2: 2.80904  Sterimol/B3: 6.2248
  Sterimol/B4: 9.75233  Sterimol/L: 19.0472 
 
 Surface and Volume Properties
  Accessible surface: 718.716  Positive charged surface: 495.074  Negative charged surface: 223.641  Volume: 407.5
  Hydrophobic surface: 574.259  Hydrophilic surface: 144.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.