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IBS-ZINC00494820

 MMsINC code: MMs01739444
Type: Neutral
Formula: C9H7ClN2O3
SMILES:   Clc1cc2OC(=O)N(c2cc1)CC(=O)N
InChI:   InChI=1/C9H7ClN2O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4H2,(H2,11,13)

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Potential Energy
Epot(MMFF94)=40.6533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.619 g/mol  logS: -3.06922  SlogP: 1.1441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690823  Sterimol/B1: 2.51557  Sterimol/B2: 2.65534  Sterimol/B3: 3.53931
  Sterimol/B4: 6.22597  Sterimol/L: 12.7094 
 
 Surface and Volume Properties
  Accessible surface: 389.479  Positive charged surface: 189.99  Negative charged surface: 199.489  Volume: 182.25
  Hydrophobic surface: 216.491  Hydrophilic surface: 172.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.