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ENAMINE-ZINC06647434

 MMsINC code: MMs01689460
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1ccc(Cl)nc1C(=O)NCc1ccccc1OC
InChI:   InChI=1/C14H12Cl2N2O2/c1-20-11-5-3-2-4-9(11)8-17-14(19)13-10(15)6-7-12(16)18-13/h2-7H,8H2,1H3,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.0408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.168 g/mol  logS: -4.02391  SlogP: 3.5934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144376  Sterimol/B1: 2.20169  Sterimol/B2: 3.39654  Sterimol/B3: 6.24582
  Sterimol/B4: 7.02009  Sterimol/L: 14.3337 
 
 Surface and Volume Properties
  Accessible surface: 535.286  Positive charged surface: 279.397  Negative charged surface: 255.89  Volume: 267.5
  Hydrophobic surface: 467.773  Hydrophilic surface: 67.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.