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CHEMDIV-ZINC03039002

 MMsINC code: MMs00906571
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccccc1C1N(Cc2ccc(cc2)C)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c1-18-12-14-19(15-13-18)16-28-23(29)17-27(20-8-4-2-3-5-9-20)25(30)24(28)21-10-6-7-11-22(21)26/h6-7,10-15,20,24H,2-5,8-9,16-17H2,1H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -6.1636  SlogP: 5.13092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154881  Sterimol/B1: 2.35124  Sterimol/B2: 3.33122  Sterimol/B3: 5.57747
  Sterimol/B4: 11.2363  Sterimol/L: 16.0758 
 
 Surface and Volume Properties
  Accessible surface: 669.056  Positive charged surface: 425.808  Negative charged surface: 243.248  Volume: 405.125
  Hydrophobic surface: 624.94  Hydrophilic surface: 44.116
 
 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.