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BACHEM-ZINC04899691

 MMsINC code: MMs00485208
Type: Neutral
Formula: C24H40N2O4
SMILES:   O(Cc1ccccc1)C(=O)C(NCC(NC(OC(C)(C)C)=O)CC(C)C)CC(C)C
InChI:   InChI=1/C24H40N2O4/c1-17(2)13-20(26-23(28)30-24(5,6)7)15-25-21(14-18(3)4)22(27)29-16-19-11-9-8-10-12-19/h8-12,17-18,20-21,25H,13-16H2,1-7H3,(H,26,28)/t20-,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.594 g/mol  logS: -5.88341  SlogP: 4.9399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113416  Sterimol/B1: 2.46661  Sterimol/B2: 3.66646  Sterimol/B3: 7.26974
  Sterimol/B4: 9.45765  Sterimol/L: 20.0229 
 
 Surface and Volume Properties
  Accessible surface: 806.29  Positive charged surface: 549.628  Negative charged surface: 256.663  Volume: 448.375
  Hydrophobic surface: 604.651  Hydrophilic surface: 201.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.