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ENAMINE-ZINC00176613

 MMsINC code: MMs01226199
Type: Neutral
Formula: C16H9ClFNO2
SMILES:   Clc1ccccc1\C=C/1\N=C(OC\1=O)c1cc(F)ccc1
InChI:   InChI=1/C16H9ClFNO2/c17-13-7-2-1-4-10(13)9-14-16(20)21-15(19-14)11-5-3-6-12(18)8-11/h1-9H/b14-9+

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Potential Energy
Epot(MMFF94)=78.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.704 g/mol  logS: -6.08628  SlogP: 3.8236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199746  Sterimol/B1: 2.15308  Sterimol/B2: 2.45593  Sterimol/B3: 3.90558
  Sterimol/B4: 6.11122  Sterimol/L: 16.3025 
 
 Surface and Volume Properties
  Accessible surface: 498.079  Positive charged surface: 223.332  Negative charged surface: 274.747  Volume: 259.375
  Hydrophobic surface: 433.59  Hydrophilic surface: 64.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.