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PUBCHEM-ZINC05751089

MMsINC code: MMs03370602

Type: Ionized
Formula: C14H10ClFNO4-
SMILES:   Clc1cc(F)c(Oc2ccc(OC(C(=O)[O-])C)cc2)nc1
InChI:   InChI=1/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/p-1/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=81.5862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.688 g/mol  logS: -3.88386  SlogP: 2.1836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568817  Sterimol/B1: 2.76523  Sterimol/B2: 2.90693  Sterimol/B3: 3.3516
  Sterimol/B4: 6.00871  Sterimol/L: 16.6055 
 
 Surface and Volume Properties
  Accessible surface: 522.695  Positive charged surface: 242.11  Negative charged surface: 280.584  Volume: 260.25
  Hydrophobic surface: 399.105  Hydrophilic surface: 123.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs03370601
PUBCHEM-ZINC05751089