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CHEMDIV-ZINC06839335

 MMsINC code: MMs01045293
Type: Neutral
Formula: C18H17FN2O2
SMILES:   Fc1ccccc1N(C(=O)Cc1noc2c1cc(cc2)C)CC
InChI:   InChI=1/C18H17FN2O2/c1-3-21(16-7-5-4-6-14(16)19)18(22)11-15-13-10-12(2)8-9-17(13)23-20-15/h4-10H,3,11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.344 g/mol  logS: -5.05241  SlogP: 3.87089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135292  Sterimol/B1: 2.08338  Sterimol/B2: 2.57736  Sterimol/B3: 5.17149
  Sterimol/B4: 7.76699  Sterimol/L: 14.5136 
 
 Surface and Volume Properties
  Accessible surface: 551.86  Positive charged surface: 305.184  Negative charged surface: 242.81  Volume: 298.375
  Hydrophobic surface: 486.138  Hydrophilic surface: 65.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.