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CHEMDIV-ZINC06921250

 MMsINC code: MMs01063496
Type: Neutral
Formula: C23H25FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)CN(C1=O)C1CCCCC1
InChI:   InChI=1/C23H25FN2O2/c24-19-13-11-18(12-14-19)22-23(28)25(20-9-5-2-6-10-20)16-21(27)26(22)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.463 g/mol  logS: -5.17446  SlogP: 4.4324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196293  Sterimol/B1: 2.39786  Sterimol/B2: 3.38659  Sterimol/B3: 5.44093
  Sterimol/B4: 11.0733  Sterimol/L: 14.1241 
 
 Surface and Volume Properties
  Accessible surface: 623.885  Positive charged surface: 385.735  Negative charged surface: 238.15  Volume: 369.625
  Hydrophobic surface: 576.757  Hydrophilic surface: 47.128
 
 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.