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IBS-ZINC02328408

 MMsINC code: MMs01833706
Type: Neutral
Formula: C24H21N3O4
SMILES:   O(CC1=Nc2c(cccc2)C(=O)N1NC(=O)c1ccc(OC)cc1)c1ccccc1C
InChI:   InChI=1/C24H21N3O4/c1-16-7-3-6-10-21(16)31-15-22-25-20-9-5-4-8-19(20)24(29)27(22)26-23(28)17-11-13-18(30-2)14-12-17/h3-14H,15H2,1-2H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=130.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.449 g/mol  logS: -6.19342  SlogP: 3.91342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485716  Sterimol/B1: 3.29379  Sterimol/B2: 3.95304  Sterimol/B3: 4.90286
  Sterimol/B4: 10.6403  Sterimol/L: 17.6296 
 
 Surface and Volume Properties
  Accessible surface: 698.578  Positive charged surface: 414.79  Negative charged surface: 283.789  Volume: 391.5
  Hydrophobic surface: 611.549  Hydrophilic surface: 87.029
 
 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: no related molecules available.