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ASINEX-ZINC02864911

 MMsINC code: MMs00279746
Type: Neutral
Formula: C23H30N2O5
SMILES:   O(C)c1ccc(NC(=O)C(NC(OC(C)(C)C)=O)C(OCc2ccccc2)C)cc1
InChI:   InChI=1/C23H30N2O5/c1-16(29-15-17-9-7-6-8-10-17)20(25-22(27)30-23(2,3)4)21(26)24-18-11-13-19(28-5)14-12-18/h6-14,16,20H,15H2,1-5H3,(H,24,26)(H,25,27)/t16-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.502 g/mol  logS: -5.10612  SlogP: 4.3987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101402  Sterimol/B1: 2.74947  Sterimol/B2: 4.43884  Sterimol/B3: 5.05079
  Sterimol/B4: 10.4239  Sterimol/L: 15.9834 
 
 Surface and Volume Properties
  Accessible surface: 718.388  Positive charged surface: 488.156  Negative charged surface: 230.233  Volume: 410.25
  Hydrophobic surface: 578.942  Hydrophilic surface: 139.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.