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CHEMBLOCK-ZINC04625915

 MMsINC code: MMs00565791
Type: Neutral
Formula: C18H11Cl2NO3
SMILES:   Clc1c(cccc1Cl)C1C2=C(OC(=O)C1)c1c(NC2=O)cccc1
InChI:   InChI=1/C18H11Cl2NO3/c19-12-6-3-5-9(16(12)20)11-8-14(22)24-17-10-4-1-2-7-13(10)21-18(23)15(11)17/h1-7,11H,8H2,(H,21,23)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=76.2109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.196 g/mol  logS: -6.22198  SlogP: 4.3873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107572  Sterimol/B1: 3.79585  Sterimol/B2: 4.51437  Sterimol/B3: 5.05697
  Sterimol/B4: 5.81371  Sterimol/L: 14.969 
 
 Surface and Volume Properties
  Accessible surface: 524.175  Positive charged surface: 232.678  Negative charged surface: 291.497  Volume: 294.75
  Hydrophobic surface: 424.778  Hydrophilic surface: 99.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.