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NANOSIN-ZINC00255064

 MMsINC code: MMs02191848
Type: Neutral
Formula: C14H11ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1O
InChI:   InChI=1/C14H11ClN2O3/c15-11-4-1-9(2-5-11)14(20)17-16-8-10-3-6-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+

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Potential Energy
Epot(MMFF94)=88.0157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.706 g/mol  logS: -3.54854  SlogP: 2.5151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00253506  Sterimol/B1: 2.10144  Sterimol/B2: 2.22271  Sterimol/B3: 2.52366
  Sterimol/B4: 5.3602  Sterimol/L: 18.2631 
 
 Surface and Volume Properties
  Accessible surface: 511.548  Positive charged surface: 262.333  Negative charged surface: 249.215  Volume: 253.125
  Hydrophobic surface: 358.194  Hydrophilic surface: 153.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.