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PUBCHEM-ZINC00718948

 MMsINC code: MMs02732839
Type: Neutral
Formula: C26H14ClF2NO5
SMILES:   Clc1cc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccc(F)cc3)C2=O
)ccc1F
InChI:   InChI=1/C26H14ClF2NO5/c27-17-11-14(9-10-18(17)29)30-24(33)19-20(25(30)34)26(35-21(19)12-5-7-13(28)8-6-12)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m1/s1

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Potential Energy
Epot(MMFF94)=104.667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.849 g/mol  logS: -7.46672  SlogP: 4.4088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159335  Sterimol/B1: 2.41759  Sterimol/B2: 4.32803  Sterimol/B3: 4.47676
  Sterimol/B4: 11.8901  Sterimol/L: 15.0229 
 
 Surface and Volume Properties
  Accessible surface: 675.703  Positive charged surface: 283.623  Negative charged surface: 392.08  Volume: 402
  Hydrophobic surface: 569.845  Hydrophilic surface: 105.858
 
 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.