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ASINEX-ZINC04602662

 MMsINC code: MMs00355318
Type: Neutral
Formula: C16H10FNO2
SMILES:   Fc1ccccc1\C=C/1\N=C(OC\1=O)c1ccccc1
InChI:   InChI=1/C16H10FNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H/b14-10-

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Potential Energy
Epot(MMFF94)=79.1724 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: 0.00344493  Sterimol/B1: 2.275  Sterimol/B2: 2.471  Sterimol/B3: 3.11666
  Sterimol/B4: 7.25482  Sterimol/L: 14.7921 
 
 Surface and Volume Properties
  Accessible surface: 475.943  Positive charged surface: 230.272  Negative charged surface: 245.672  Volume: 246.125
  Hydrophobic surface: 395.585  Hydrophilic surface: 80.358
 
 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.