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ENAMINE-ZINC03315673

 MMsINC code: MMs01366760
Type: Neutral
Formula: C23H26ClNO2
SMILES:   Clc1ccccc1COc1ccccc1C(=O)NC(C)C1C2CC(C1)CC2
InChI:   InChI=1/C23H26ClNO2/c1-15(20-13-16-10-11-17(20)12-16)25-23(26)19-7-3-5-9-22(19)27-14-18-6-2-4-8-21(18)24/h2-9,15-17,20H,10-14H2,1H3,(H,25,26)/t15-,16+,17-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.919 g/mol  logS: -6.99834  SlogP: 5.7399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671229  Sterimol/B1: 2.09147  Sterimol/B2: 5.3599  Sterimol/B3: 6.56208
  Sterimol/B4: 7.50483  Sterimol/L: 17.4523 
 
 Surface and Volume Properties
  Accessible surface: 656.422  Positive charged surface: 388.32  Negative charged surface: 268.102  Volume: 378.25
  Hydrophobic surface: 616.127  Hydrophilic surface: 40.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.