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CHEMDIV-ZINC03038481

 MMsINC code: MMs00906472
Type: Neutral
Formula: C26H32N2O2
SMILES:   O=C1N(CC(=O)N(Cc2ccc(cc2)C)C1c1ccc(cc1)C)C1CCC(CC1)C
InChI:   InChI=1/C26H32N2O2/c1-18-4-10-21(11-5-18)16-28-24(29)17-27(23-14-8-20(3)9-15-23)26(30)25(28)22-12-6-19(2)7-13-22/h4-7,10-13,20,23,25H,8-9,14-17H2,1-3H3/t20-,23+,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=204.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -6.34254  SlogP: 5.15614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251264  Sterimol/B1: 3.05512  Sterimol/B2: 4.17398  Sterimol/B3: 6.75357
  Sterimol/B4: 6.85758  Sterimol/L: 15.064 
 
 Surface and Volume Properties
  Accessible surface: 631.119  Positive charged surface: 434.912  Negative charged surface: 196.207  Volume: 413.375
  Hydrophobic surface: 544.354  Hydrophilic surface: 86.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.