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CHEMDIV-ZINC03657797

 MMsINC code: MMs00915366
Type: Neutral
Formula: C25H23FN2O3
SMILES:   Fc1ccc(cc1)CNC(=O)C1c2c(cccc2)C(=O)N(C)C1c1ccc(OC)cc1
InChI:   InChI=1/C25H23FN2O3/c1-28-23(17-9-13-19(31-2)14-10-17)22(20-5-3-4-6-21(20)25(28)30)24(29)27-15-16-7-11-18(26)12-8-16/h3-14,22-23H,15H2,1-2H3,(H,27,29)/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.468 g/mol  logS: -5.53718  SlogP: 4.4231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226946  Sterimol/B1: 1.969  Sterimol/B2: 4.08793  Sterimol/B3: 7.47862
  Sterimol/B4: 8.80318  Sterimol/L: 16.4245 
 
 Surface and Volume Properties
  Accessible surface: 674.826  Positive charged surface: 429.663  Negative charged surface: 245.163  Volume: 394.75
  Hydrophobic surface: 609.775  Hydrophilic surface: 65.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.