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CHEMDIV-ZINC03039000

 MMsINC code: MMs00906569
Type: Neutral
Formula: C25H29FN2O2
SMILES:   Fc1ccccc1C1N(CCc2ccccc2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C25H29FN2O2/c26-22-15-9-8-14-21(22)24-25(30)28(20-12-6-1-2-7-13-20)18-23(29)27(24)17-16-19-10-4-3-5-11-19/h3-5,8-11,14-15,20,24H,1-2,6-7,12-13,16-18H2/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.517 g/mol  logS: -5.75115  SlogP: 4.59857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973636  Sterimol/B1: 3.36311  Sterimol/B2: 3.58682  Sterimol/B3: 4.59078
  Sterimol/B4: 8.98032  Sterimol/L: 18.3388 
 
 Surface and Volume Properties
  Accessible surface: 673.067  Positive charged surface: 419.802  Negative charged surface: 253.265  Volume: 404.125
  Hydrophobic surface: 631.06  Hydrophilic surface: 42.007
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.