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PUBCHEM-ZINC06294653

 MMsINC code: MMs03663048
Type: Neutral
Formula: C26H22FNO3
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccc(cc1)CC
InChI:   InChI=1/C26H22FNO3/c1-2-17-8-10-19(11-9-17)23-22(24(29)20-12-14-21(27)15-13-20)25(30)26(31)28(23)16-18-6-4-3-5-7-18/h3-15,22-23H,2,16H2,1H3/t22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.9178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.464 g/mol  logS: -6.81296  SlogP: 4.90167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187792  Sterimol/B1: 2.73061  Sterimol/B2: 3.87903  Sterimol/B3: 5.34935
  Sterimol/B4: 11.478  Sterimol/L: 15.9588 
 
 Surface and Volume Properties
  Accessible surface: 690.506  Positive charged surface: 358.245  Negative charged surface: 332.26  Volume: 397
  Hydrophobic surface: 574.405  Hydrophilic surface: 116.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03663049
PUBCHEM-ZINC06294653


MMs03663051
PUBCHEM-ZINC06294653


MMs03663050
PUBCHEM-ZINC06294653


MMs03663052
PUBCHEM-ZINC06294653