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ENAMINE-ZINC03427176

 MMsINC code: MMs01435310
Type: Neutral
Formula: C24H20N2O5
SMILES:   o1c2c(cccc2)c(COc2ccccc2)c1C(=O)NNC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H20N2O5/c1-29-17-13-11-16(12-14-17)23(27)25-26-24(28)22-20(15-30-18-7-3-2-4-8-18)19-9-5-6-10-21(19)31-22/h2-14H,15H2,1H3,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=118.378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.433 g/mol  logS: -7.05031  SlogP: 4.3616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287161  Sterimol/B1: 3.14275  Sterimol/B2: 4.2721  Sterimol/B3: 6.15757
  Sterimol/B4: 8.46203  Sterimol/L: 19.4216 
 
 Surface and Volume Properties
  Accessible surface: 729.745  Positive charged surface: 427.988  Negative charged surface: 295.819  Volume: 387.5
  Hydrophobic surface: 613.078  Hydrophilic surface: 116.667
 
 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.