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CHEMDIV-ZINC06858244

 MMsINC code: MMs01047728
Type: Neutral
Formula: C24H29FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCCCOC(C)C
InChI:   InChI=1/C24H29FN2O2/c1-18(2)29-15-5-14-26-24(28)13-10-20-17-27(23-7-4-3-6-22(20)23)16-19-8-11-21(25)12-9-19/h3-4,6-9,11-12,17-18H,5,10,13-16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.506 g/mol  logS: -4.72002  SlogP: 4.95897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249611  Sterimol/B1: 3.34817  Sterimol/B2: 4.04401  Sterimol/B3: 5.3162
  Sterimol/B4: 6.16873  Sterimol/L: 23.1516 
 
 Surface and Volume Properties
  Accessible surface: 744.99  Positive charged surface: 486.963  Negative charged surface: 253.985  Volume: 407.5
  Hydrophobic surface: 628.011  Hydrophilic surface: 116.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.