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CHEMBRIDGE-ZINC00991792

 MMsINC code: MMs00650396
Type: Neutral
Formula: C24H23NO6
SMILES:   O(C)c1cc(ccc1)C(=O)COC(=O)C1CCC(N2C(=O)c3c(cccc3)C2=O)CC1
InChI:   InChI=1/C24H23NO6/c1-30-18-6-4-5-16(13-18)21(26)14-31-24(29)15-9-11-17(12-10-15)25-22(27)19-7-2-3-8-20(19)23(25)28/h2-8,13,15,17H,9-12,14H2,1H3/t15-,17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=223.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.449 g/mol  logS: -5.20493  SlogP: 3.2761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501043  Sterimol/B1: 2.73495  Sterimol/B2: 5.04629  Sterimol/B3: 5.77775
  Sterimol/B4: 5.80474  Sterimol/L: 20.3249 
 
 Surface and Volume Properties
  Accessible surface: 686.252  Positive charged surface: 440.05  Negative charged surface: 246.202  Volume: 385
  Hydrophobic surface: 569.819  Hydrophilic surface: 116.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.