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IBS-ZINC05346716

MMsINC code: MMs01942130

Type: Neutral
Formula: C21H24N2O4
SMILES:   O(C)c1c(OC)c2cc([nH]c2cc1OC)C(=O)N(Cc1ccccc1)CC
InChI:   InChI=1/C21H24N2O4/c1-5-23(13-14-9-7-6-8-10-14)21(24)17-11-15-16(22-17)12-18(25-2)20(27-4)19(15)26-3/h6-12,22H,5,13H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=132.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.433 g/mol  logS: -4.11409  SlogP: 4.1224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705908  Sterimol/B1: 2.36467  Sterimol/B2: 2.6526  Sterimol/B3: 4.95208
  Sterimol/B4: 8.85086  Sterimol/L: 17.2737 
 
 Surface and Volume Properties
  Accessible surface: 645.222  Positive charged surface: 469.396  Negative charged surface: 170.725  Volume: 363.375
  Hydrophobic surface: 571.162  Hydrophilic surface: 74.06
 
 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: no related molecules available.