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IBS-ZINC05451824

 MMsINC code: MMs01948573
Type: Neutral
Formula: C18H18N2O5
SMILES:   O1C(c2c(cccc2)C1=O)C1C(=O)N(C2CCCCC2)C(=O)NC1=O
InChI:   InChI=1/C18H18N2O5/c21-15-13(14-11-8-4-5-9-12(11)17(23)25-14)16(22)20(18(24)19-15)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2,(H,19,21,24)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=19.5532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.351 g/mol  logS: -3.94789  SlogP: 2.0209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768428  Sterimol/B1: 2.64633  Sterimol/B2: 3.44525  Sterimol/B3: 4.32713
  Sterimol/B4: 6.03174  Sterimol/L: 16.5226 
 
 Surface and Volume Properties
  Accessible surface: 536.424  Positive charged surface: 329.974  Negative charged surface: 206.45  Volume: 300.875
  Hydrophobic surface: 374.785  Hydrophilic surface: 161.639
 
 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.