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CHEMBLOCK-ZINC04573284

 MMsINC code: MMs00557519
Type: Neutral
Formula: C23H27NO5
SMILES:   Oc1ccc(cc1C(OC)=O)CN1CCC(CC1)(C(OCC)=O)c1ccccc1
InChI:   InChI=1/C23H27NO5/c1-3-29-22(27)23(18-7-5-4-6-8-18)11-13-24(14-12-23)16-17-9-10-20(25)19(15-17)21(26)28-2/h4-10,15,25H,3,11-14,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -4.14236  SlogP: 3.5421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153338  Sterimol/B1: 2.29322  Sterimol/B2: 3.25522  Sterimol/B3: 5.32362
  Sterimol/B4: 9.22533  Sterimol/L: 16.2037 
 
 Surface and Volume Properties
  Accessible surface: 680.867  Positive charged surface: 478.368  Negative charged surface: 202.499  Volume: 384.5
  Hydrophobic surface: 555.999  Hydrophilic surface: 124.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00557520
CHEMBLOCK-ZINC04573284