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CHEMDIV-ZINC06858252

 MMsINC code: MMs01047733
Type: Neutral
Formula: C24H27FN2O
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C24H27FN2O/c25-20-13-10-18(11-14-20)16-27-17-19(22-8-4-5-9-23(22)27)12-15-24(28)26-21-6-2-1-3-7-21/h4-5,8-11,13-14,17,21H,1-3,6-7,12,15-16H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.491 g/mol  logS: -5.19233  SlogP: 5.47657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439238  Sterimol/B1: 2.46007  Sterimol/B2: 3.38078  Sterimol/B3: 4.12091
  Sterimol/B4: 8.84416  Sterimol/L: 20.0835 
 
 Surface and Volume Properties
  Accessible surface: 683.019  Positive charged surface: 441.035  Negative charged surface: 237.265  Volume: 384
  Hydrophobic surface: 623.556  Hydrophilic surface: 59.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.