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ASINEX-ZINC04231304

 MMsINC code: MMs00320880
Type: Neutral
Formula: C24H25N3O4
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)CN(C(=O)NCc1ccccc1)C1CCCC1
InChI:   InChI=1/C24H25N3O4/c28-23-18(10-17-11-21-22(31-15-30-21)12-20(17)26-23)14-27(19-8-4-5-9-19)24(29)25-13-16-6-2-1-3-7-16/h1-3,6-7,10-12,19H,4-5,8-9,13-15H2,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.3467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.481 g/mol  logS: -4.8115  SlogP: 4.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117644  Sterimol/B1: 2.28821  Sterimol/B2: 3.24957  Sterimol/B3: 6.20867
  Sterimol/B4: 7.59082  Sterimol/L: 18.9912 
 
 Surface and Volume Properties
  Accessible surface: 671.357  Positive charged surface: 440.763  Negative charged surface: 230.594  Volume: 396.125
  Hydrophobic surface: 525.651  Hydrophilic surface: 145.706
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.