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CHEMSTAR-ZINC04544780

 MMsINC code: MMs01116327
Type: Neutral
Formula: C23H23NO6
SMILES:   O(C)c1cc(ccc1)C(=O)COC(=O)C(N1C(=O)c2c(cccc2)C1=O)CCCC
InChI:   InChI=1/C23H23NO6/c1-3-4-12-19(24-21(26)17-10-5-6-11-18(17)22(24)27)23(28)30-14-20(25)15-8-7-9-16(13-15)29-2/h5-11,13,19H,3-4,12,14H2,1-2H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.438 g/mol  logS: -6.05195  SlogP: 3.2761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374335  Sterimol/B1: 2.35117  Sterimol/B2: 3.52892  Sterimol/B3: 4.68763
  Sterimol/B4: 9.94974  Sterimol/L: 20.4702 
 
 Surface and Volume Properties
  Accessible surface: 718.395  Positive charged surface: 445.48  Negative charged surface: 272.915  Volume: 386.25
  Hydrophobic surface: 561.716  Hydrophilic surface: 156.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.