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CHEMBRIDGE-ZINC01194959

 MMsINC code: MMs00685418
Type: Neutral
Formula: C18H15ClN2O4
SMILES:   Clc1ccc(cc1)C(=O)N1N=C(CC1(O)c1ccccc1)C(OC)=O
InChI:   InChI=1/C18H15ClN2O4/c1-25-17(23)15-11-18(24,13-5-3-2-4-6-13)21(20-15)16(22)12-7-9-14(19)10-8-12/h2-10,24H,11H2,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=112.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.781 g/mol  logS: -4.7576  SlogP: 2.8717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153288  Sterimol/B1: 2.16686  Sterimol/B2: 3.70222  Sterimol/B3: 4.88049
  Sterimol/B4: 10.7932  Sterimol/L: 14.6622 
 
 Surface and Volume Properties
  Accessible surface: 587.533  Positive charged surface: 315.609  Negative charged surface: 271.925  Volume: 315.25
  Hydrophobic surface: 483.177  Hydrophilic surface: 104.356
 
 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.