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ENAMINE-ZINC03347128

 MMsINC code: MMs01387092
Type: Neutral
Formula: C24H17NO4
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C/c1ccc(cc1)C(O)=O)c1cc(ccc1)C
InChI:   InChI=1/C24H17NO4/c1-15-5-4-6-18(13-15)25-22(26)20-8-3-2-7-19(20)21(23(25)27)14-16-9-11-17(12-10-16)24(28)29/h2-14H,1H3,(H,28,29)/b21-14-

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Potential Energy
Epot(MMFF94)=139.323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.403 g/mol  logS: -6.48522  SlogP: 4.42082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112989  Sterimol/B1: 2.23208  Sterimol/B2: 2.49703  Sterimol/B3: 5.53106
  Sterimol/B4: 11.7303  Sterimol/L: 14.6416 
 
 Surface and Volume Properties
  Accessible surface: 623.928  Positive charged surface: 342.934  Negative charged surface: 280.993  Volume: 358
  Hydrophobic surface: 488.497  Hydrophilic surface: 135.431
 
 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


MMs01387093
ENAMINE-ZINC03347128