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CHEMDIV-ZINC04760381

 MMsINC code: MMs00948253
Type: Neutral
Formula: C25H22F2N2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C25H22F2N2O4/c1-29-23(16-6-4-5-7-19(16)27)22(24(30)28-15-10-8-14(26)9-11-15)17-12-20(32-2)21(33-3)13-18(17)25(29)31/h4-13,22-23H,1-3H3,(H,28,30)/t22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.457 g/mol  logS: -5.9385  SlogP: 4.6267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306759  Sterimol/B1: 2.38733  Sterimol/B2: 2.50339  Sterimol/B3: 7.44318
  Sterimol/B4: 9.70986  Sterimol/L: 16.454 
 
 Surface and Volume Properties
  Accessible surface: 685.11  Positive charged surface: 445.106  Negative charged surface: 240.004  Volume: 406.625
  Hydrophobic surface: 623.055  Hydrophilic surface: 62.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.