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ENAMINE-ZINC03573284

 MMsINC code: MMs01514756
Type: Neutral
Formula: C16H14Cl2N2O4
SMILES:   Clc1ccccc1Cn1nc(C)c(C(OC2CCOC2=O)=O)c1Cl
InChI:   InChI=1/C16H14Cl2N2O4/c1-9-13(16(22)24-12-6-7-23-15(12)21)14(18)20(19-9)8-10-4-2-3-5-11(10)17/h2-5,12H,6-8H2,1H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=69.2206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.204 g/mol  logS: -4.71657  SlogP: 3.28532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651094  Sterimol/B1: 2.25035  Sterimol/B2: 3.40532  Sterimol/B3: 4.08554
  Sterimol/B4: 7.24153  Sterimol/L: 16.5521 
 
 Surface and Volume Properties
  Accessible surface: 572.385  Positive charged surface: 292.448  Negative charged surface: 279.936  Volume: 310.75
  Hydrophobic surface: 473.1  Hydrophilic surface: 99.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.