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CHEMBRIDGE-ZINC04600464

 MMsINC code: MMs00772707
Type: Neutral
Formula: C16H15ClN2O3
SMILES:   Clc1ccccc1/C(=N/OC(=O)COc1ccccc1C)/N
InChI:   InChI=1/C16H15ClN2O3/c1-11-6-2-5-9-14(11)21-10-15(20)22-19-16(18)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H2,18,19)

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Potential Energy
Epot(MMFF94)=119.058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.76 g/mol  logS: -4.89981  SlogP: 2.89092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00375802  Sterimol/B1: 2.03274  Sterimol/B2: 2.37797  Sterimol/B3: 2.51228
  Sterimol/B4: 6.71455  Sterimol/L: 18.2848 
 
 Surface and Volume Properties
  Accessible surface: 562.509  Positive charged surface: 318.777  Negative charged surface: 243.732  Volume: 289.375
  Hydrophobic surface: 462.467  Hydrophilic surface: 100.042
 
 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.