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CHEMDIV-ZINC02724813

 MMsINC code: MMs00887117
Type: Neutral
Formula: C25H23FN2O3
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3ccc(OC(C)C)cc3)C2c2ccccc2)cc1
InChI:   InChI=1/C25H23FN2O3/c1-16(2)31-20-11-8-18(9-12-20)25(30)28-15-23(29)27-22-13-10-19(26)14-21(22)24(28)17-6-4-3-5-7-17/h3-14,16,24H,15H2,1-2H3,(H,27,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.468 g/mol  logS: -6.31153  SlogP: 4.8923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181469  Sterimol/B1: 4.12994  Sterimol/B2: 5.5628  Sterimol/B3: 5.64174
  Sterimol/B4: 5.80062  Sterimol/L: 16.0688 
 
 Surface and Volume Properties
  Accessible surface: 652.229  Positive charged surface: 357.87  Negative charged surface: 294.359  Volume: 388.625
  Hydrophobic surface: 505.615  Hydrophilic surface: 146.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.