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CHEMBLOCK-ZINC00634781

 MMsINC code: MMs00505894
Type: Neutral
Formula: C20H16ClFN2O4
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NCC1Oc2c(OC1)cccc2
InChI:   InChI=1/C20H16ClFN2O4/c1-11-17(19(24-28-11)18-13(21)5-4-6-14(18)22)20(25)23-9-12-10-26-15-7-2-3-8-16(15)27-12/h2-8,12H,9-10H2,1H3,(H,23,25)/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.7674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.809 g/mol  logS: -5.95914  SlogP: 4.01232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145026  Sterimol/B1: 2.40119  Sterimol/B2: 3.69344  Sterimol/B3: 5.74635
  Sterimol/B4: 9.75489  Sterimol/L: 15.3969 
 
 Surface and Volume Properties
  Accessible surface: 647.66  Positive charged surface: 337.653  Negative charged surface: 310.008  Volume: 346.375
  Hydrophobic surface: 584.843  Hydrophilic surface: 62.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.