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ENAMINE-ZINC06652274

 MMsINC code: MMs01692829
Type: Neutral
Formula: C18H20Cl2N2O3
SMILES:   Clc1cc(cnc1Cl)C(=O)NC(C)c1cc(OCC)c(OCC)cc1
InChI:   InChI=1/C18H20Cl2N2O3/c1-4-24-15-7-6-12(9-16(15)25-5-2)11(3)22-18(23)13-8-14(19)17(20)21-10-13/h6-11H,4-5H2,1-3H3,(H,22,23)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=85.2253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.275 g/mol  logS: -4.903  SlogP: 4.7723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078471  Sterimol/B1: 2.56118  Sterimol/B2: 3.40179  Sterimol/B3: 4.74363
  Sterimol/B4: 9.25263  Sterimol/L: 17.8125 
 
 Surface and Volume Properties
  Accessible surface: 661.628  Positive charged surface: 371.732  Negative charged surface: 289.895  Volume: 347.375
  Hydrophobic surface: 527.124  Hydrophilic surface: 134.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.