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CHEMBLOCK-ZINC00088541

MMsINC code: MMs00495807

Type: Ionized
Formula: C20H10F2NO2-
SMILES:   Fc1c(cccc1F)-c1nc2c(c3c(cc2)cccc3)c(c1)C(=O)[O-]
InChI:   InChI=1/C20H11F2NO2/c21-15-7-3-6-13(19(15)22)17-10-14(20(24)25)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H,(H,24,25)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=88.9799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.301 g/mol  logS: -7.06629  SlogP: 3.6967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271118  Sterimol/B1: 2.79481  Sterimol/B2: 3.55567  Sterimol/B3: 4.49492
  Sterimol/B4: 5.5982  Sterimol/L: 16.5319 
 
 Surface and Volume Properties
  Accessible surface: 531.019  Positive charged surface: 213.922  Negative charged surface: 296.836  Volume: 290.5
  Hydrophobic surface: 440.535  Hydrophilic surface: 90.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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MMs00495806
CHEMBLOCK-ZINC00088541