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NCID-ZINC05850614

 MMsINC code: MMs02507784
Type: Neutral
Formula: C20H19ClFN3O8
SMILES:   Clc1cccc(F)c1C1OCC2OC(N3C=CC(=O)NC3=O)C(OC(=O)C)C2N1OC(=O)C
InChI:   InChI=1/C20H19ClFN3O8/c1-9(26)31-17-16-13(32-19(17)24-7-6-14(28)23-20(24)29)8-30-18(25(16)33-10(2)27)15-11(21)4-3-5-12(15)22/h3-7,13,16-19H,8H2,1-2H3,(H,23,28,29)/t13-,16+,17+,18+,19-/m1/s1

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Potential Energy
Epot(MMFF94)=114.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.836 g/mol  logS: -4.05258  SlogP: 1.4742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164626  Sterimol/B1: 2.44808  Sterimol/B2: 3.24103  Sterimol/B3: 5.2022
  Sterimol/B4: 7.49936  Sterimol/L: 15.1953 
 
 Surface and Volume Properties
  Accessible surface: 606.154  Positive charged surface: 330.39  Negative charged surface: 275.764  Volume: 386.25
  Hydrophobic surface: 436.09  Hydrophilic surface: 170.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.