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ASINEX-ZINC00113759

 MMsINC code: MMs00076939
Type: Neutral
Formula: C16H10FNO2
SMILES:   Fc1ccc(cc1)\C=C\1/N=C(OC/1=O)c1ccccc1
InChI:   InChI=1/C16H10FNO2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H/b14-10+

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Potential Energy
Epot(MMFF94)=79.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.259 g/mol  logS: -5.35199  SlogP: 3.1702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0162258  Sterimol/B1: 2.62503  Sterimol/B2: 2.74024  Sterimol/B3: 3.7484
  Sterimol/B4: 3.75603  Sterimol/L: 16.5556 
 
 Surface and Volume Properties
  Accessible surface: 478.904  Positive charged surface: 245.775  Negative charged surface: 233.129  Volume: 243.25
  Hydrophobic surface: 413.742  Hydrophilic surface: 65.162
 
 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.