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PUBCHEM-ZINC04201024

 MMsINC code: MMs03098602
Type: Neutral
Formula: C26H14ClF2NO5
SMILES:   Clc1ccc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccc(F)cc3F)C2
=O)cc1
InChI:   InChI=1/C26H14ClF2NO5/c27-12-5-8-14(9-6-12)30-24(33)19-20(25(30)34)26(22(31)15-3-1-2-4-16(15)23(26)32)35-21(19)17-10-7-13(28)11-18(17)29/h1-11,19-21H/t19-,20+,21-/m0/s1

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Potential Energy
Epot(MMFF94)=159.544 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: 0.150347  Sterimol/B1: 4.01125  Sterimol/B2: 4.13628  Sterimol/B3: 4.18568
  Sterimol/B4: 8.44532  Sterimol/L: 16.6672 
 
 Surface and Volume Properties
  Accessible surface: 656.832  Positive charged surface: 277.482  Negative charged surface: 379.35  Volume: 401.75
  Hydrophobic surface: 552.726  Hydrophilic surface: 104.106
 
 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.