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PUBCHEM-ZINC02857755

 MMsINC code: MMs02942124
Type: Neutral
Formula: C19H10Cl2FNO3
SMILES:   Clc1c(cccc1Cl)-c1oc(cc1)COC(=O)c1ccc(cc1F)C#N
InChI:   InChI=1/C19H10Cl2FNO3/c20-15-3-1-2-14(18(15)21)17-7-5-12(26-17)10-25-19(24)13-6-4-11(9-23)8-16(13)22/h1-8H,10H2

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Potential Energy
Epot(MMFF94)=76.9159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.197 g/mol  logS: -7.79575  SlogP: 5.88758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622668  Sterimol/B1: 2.3232  Sterimol/B2: 4.57514  Sterimol/B3: 5.20045
  Sterimol/B4: 5.76255  Sterimol/L: 18.3672 
 
 Surface and Volume Properties
  Accessible surface: 623.781  Positive charged surface: 268.69  Negative charged surface: 355.091  Volume: 325.25
  Hydrophobic surface: 494.031  Hydrophilic surface: 129.75
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.