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CHEMDIV-ZINC01300128

 MMsINC code: MMs00865208
Type: Neutral
Formula: C27H18FNO5
SMILES:   Fc1ccccc1N1C(=O)C2C(C(OC23C(=O)c2c(cccc2)C3=O)c2ccc(cc2)C)C1
=O
InChI:   InChI=1/C27H18FNO5/c1-14-10-12-15(13-11-14)22-20-21(26(33)29(25(20)32)19-9-5-4-8-18(19)28)27(34-22)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3/t20-,21-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=115.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.441 g/mol  logS: -6.91137  SlogP: 3.92472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112707  Sterimol/B1: 3.3415  Sterimol/B2: 4.34544  Sterimol/B3: 6.92451
  Sterimol/B4: 7.23236  Sterimol/L: 15.6084 
 
 Surface and Volume Properties
  Accessible surface: 669.454  Positive charged surface: 345.536  Negative charged surface: 323.918  Volume: 402.625
  Hydrophobic surface: 565.901  Hydrophilic surface: 103.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.