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ENAMINE-ZINC03294016

 MMsINC code: MMs01354869
Type: Neutral
Formula: C24H24N2O5
SMILES:   O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(OCC(=O)N1CC(CC(C1)C)C)=O
InChI:   InChI=1/C24H24N2O5/c1-15-11-16(2)13-25(12-15)21(27)14-31-24(30)17-7-9-18(10-8-17)26-22(28)19-5-3-4-6-20(19)23(26)29/h3-10,15-16H,11-14H2,1-2H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=110.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.36459  SlogP: 3.1485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016319  Sterimol/B1: 2.51326  Sterimol/B2: 3.31441  Sterimol/B3: 3.87231
  Sterimol/B4: 6.41602  Sterimol/L: 22.0473 
 
 Surface and Volume Properties
  Accessible surface: 703.147  Positive charged surface: 431.031  Negative charged surface: 272.116  Volume: 395.125
  Hydrophobic surface: 525.967  Hydrophilic surface: 177.18
 
 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.