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ENAMINE-ZINC03355655

 MMsINC code: MMs01392500
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1cc(cnc1Cl)C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C14H12Cl2N2O2/c1-20-11-4-2-9(3-5-11)7-18-14(19)10-6-12(15)13(16)17-8-10/h2-6,8H,7H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=62.0058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.168 g/mol  logS: -3.87099  SlogP: 3.5934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592618  Sterimol/B1: 3.14699  Sterimol/B2: 3.73344  Sterimol/B3: 4.38587
  Sterimol/B4: 5.34716  Sterimol/L: 17.5394 
 
 Surface and Volume Properties
  Accessible surface: 540.117  Positive charged surface: 280.609  Negative charged surface: 259.508  Volume: 267.875
  Hydrophobic surface: 457.893  Hydrophilic surface: 82.224
 
 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.