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IBS-ZINC05209470

 MMsINC code: MMs01931203
Type: Neutral
Formula: C19H14N2O5
SMILES:   O1C(c2c(cccc2)C1=O)C1C(=O)N(Cc2ccccc2)C(=O)NC1=O
InChI:   InChI=1/C19H14N2O5/c22-16-14(15-12-8-4-5-9-13(12)18(24)26-15)17(23)21(19(25)20-16)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H,20,22,25)/t14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=19.7217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.33 g/mol  logS: -4.24465  SlogP: 2.1548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155522  Sterimol/B1: 3.03198  Sterimol/B2: 3.2294  Sterimol/B3: 5.38313
  Sterimol/B4: 7.25802  Sterimol/L: 13.8895 
 
 Surface and Volume Properties
  Accessible surface: 543.518  Positive charged surface: 292.662  Negative charged surface: 250.857  Volume: 307.25
  Hydrophobic surface: 367.109  Hydrophilic surface: 176.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.