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ASINEX-ZINC02063829

 MMsINC code: MMs00262293
Type: Neutral
Formula: C20H27NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)CNCc1cc(OC)c(OC)cc1OC
InChI:   InChI=1/C20H27NO6/c1-22-15-10-17(24-3)16(23-2)9-14(15)12-21-11-13-7-18(25-4)20(27-6)19(8-13)26-5/h7-10,21H,11-12H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.437 g/mol  logS: -3.19556  SlogP: 3.5608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764227  Sterimol/B1: 2.47653  Sterimol/B2: 3.18489  Sterimol/B3: 4.72198
  Sterimol/B4: 9.51447  Sterimol/L: 17.8938 
 
 Surface and Volume Properties
  Accessible surface: 701.005  Positive charged surface: 626.033  Negative charged surface: 74.9723  Volume: 370.75
  Hydrophobic surface: 638.439  Hydrophilic surface: 62.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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


MMs00262294
ASINEX-ZINC02063829