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ASINEX-ZINC00280328

 MMsINC code: MMs00107037
Type: Neutral
Formula: C14H11ClFNO2
SMILES:   Clc1cc(NCc2cc3OCOc3cc2)ccc1F
InChI:   InChI=1/C14H11ClFNO2/c15-11-6-10(2-3-12(11)16)17-7-9-1-4-13-14(5-9)19-8-18-13/h1-6,17H,7-8H2

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Potential Energy
Epot(MMFF94)=59.9164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.698 g/mol  logS: -3.93361  SlogP: 4.0863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758874  Sterimol/B1: 2.67454  Sterimol/B2: 3.7847  Sterimol/B3: 4.52
  Sterimol/B4: 4.76451  Sterimol/L: 15.7814 
 
 Surface and Volume Properties
  Accessible surface: 487.877  Positive charged surface: 257.868  Negative charged surface: 230.009  Volume: 241.75
  Hydrophobic surface: 412.437  Hydrophilic surface: 75.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.