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CHEMBRIDGE-ZINC01141193

 MMsINC code: MMs00669955
Type: Neutral
Formula: C24H26N2O3
SMILES:   O1CCCC1CNC(=O)c1cc(nc2c1cc(cc2C)C)-c1cc(OC)ccc1
InChI:   InChI=1/C24H26N2O3/c1-15-10-16(2)23-20(11-15)21(24(27)25-14-19-8-5-9-29-19)13-22(26-23)17-6-4-7-18(12-17)28-3/h4,6-7,10-13,19H,5,8-9,14H2,1-3H3,(H,25,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -5.89452  SlogP: 4.43604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255043  Sterimol/B1: 2.2124  Sterimol/B2: 3.0745  Sterimol/B3: 3.56439
  Sterimol/B4: 12.3929  Sterimol/L: 17.9491 
 
 Surface and Volume Properties
  Accessible surface: 706.208  Positive charged surface: 478.996  Negative charged surface: 216.347  Volume: 386.875
  Hydrophobic surface: 637.225  Hydrophilic surface: 68.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.