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NCID-ZINC01753846

 MMsINC code: MMs02363576
Type: Neutral
Formula: C16H15Cl2NO4
SMILES:   Clc1cc(OC)c(NC(OCCOc2ccc(Cl)cc2)=O)cc1
InChI:   InChI=1/C16H15Cl2NO4/c1-21-15-10-12(18)4-7-14(15)19-16(20)23-9-8-22-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=71.5018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.205 g/mol  logS: -5.02747  SlogP: 4.6295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528413  Sterimol/B1: 2.44781  Sterimol/B2: 2.68986  Sterimol/B3: 4.66459
  Sterimol/B4: 7.19166  Sterimol/L: 20.0563 
 
 Surface and Volume Properties
  Accessible surface: 617.039  Positive charged surface: 342.575  Negative charged surface: 274.463  Volume: 307.125
  Hydrophobic surface: 553.177  Hydrophilic surface: 63.862
 
 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.