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ACDBLOCKS-ZINC03676999

 MMsINC code: MMs00001312
Type: Ionized
Formula: C8H6ClFNO2-
SMILES:   Clc1cccc(F)c1C(N)C(=O)[O-]
InChI:   InChI=1/C8H7ClFNO2/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=49.6928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.592 g/mol  logS: -2.33536  SlogP: 0.3243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131451  Sterimol/B1: 3.36017  Sterimol/B2: 3.53865  Sterimol/B3: 3.95844
  Sterimol/B4: 5.34678  Sterimol/L: 10.461 
 
 Surface and Volume Properties
  Accessible surface: 346.626  Positive charged surface: 127.962  Negative charged surface: 218.664  Volume: 159.75
  Hydrophobic surface: 221.462  Hydrophilic surface: 125.164
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs00001311
ACDBLOCKS-ZINC03676999