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ENAMINE-ZINC06607332

 MMsINC code: MMs01685341
Type: Neutral
Formula: C14H13ClN2O4
SMILES:   Clc1ccccc1C(OC(=O)CN1C=CC(=O)NC1=O)C
InChI:   InChI=1/C14H13ClN2O4/c1-9(10-4-2-3-5-11(10)15)21-13(19)8-17-7-6-12(18)16-14(17)20/h2-7,9H,8H2,1H3,(H,16,18,20)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=24.5523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.721 g/mol  logS: -3.54463  SlogP: 2.1052  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0913765  Sterimol/B1: 2.03764  Sterimol/B2: 3.24546  Sterimol/B3: 4.92224
  Sterimol/B4: 5.9122  Sterimol/L: 16.1641 
 
 Surface and Volume Properties
  Accessible surface: 517.422  Positive charged surface: 261.815  Negative charged surface: 255.607  Volume: 268
  Hydrophobic surface: 347.906  Hydrophilic surface: 169.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.