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ENAMINE-ZINC03508361

 MMsINC code: MMs01481250
Type: Neutral
Formula: C24H30N2O5
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(cc2)C(OCC(=O)N1CC(CC(C1)C)C)=O
InChI:   InChI=1/C24H30N2O5/c1-15-10-16(2)13-25(12-15)21(27)14-31-24(30)17-8-9-19-20(11-17)23(29)26(22(19)28)18-6-4-3-5-7-18/h8-9,11,15-16,18H,3-7,10,12-14H2,1-2H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=69.9717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.01187  SlogP: 3.2766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258558  Sterimol/B1: 2.21483  Sterimol/B2: 3.38023  Sterimol/B3: 3.94465
  Sterimol/B4: 6.60707  Sterimol/L: 22.3261 
 
 Surface and Volume Properties
  Accessible surface: 721.258  Positive charged surface: 495.611  Negative charged surface: 225.647  Volume: 409.625
  Hydrophobic surface: 545.996  Hydrophilic surface: 175.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.