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ENAMINE-ZINC04938908

 MMsINC code: MMs01567840
Type: Neutral
Formula: C14H10ClN3O
SMILES:   Clc1ccc(NC(=O)c2nc3n(c2)C=CC=C3)cc1
InChI:   InChI=1/C14H10ClN3O/c15-10-4-6-11(7-5-10)16-14(19)12-9-18-8-2-1-3-13(18)17-12/h1-9H,(H,16,19)

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Potential Energy
Epot(MMFF94)=63.3173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.707 g/mol  logS: -3.47292  SlogP: 3.2863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00985268  Sterimol/B1: 2.4156  Sterimol/B2: 2.69374  Sterimol/B3: 3.0046
  Sterimol/B4: 4.84758  Sterimol/L: 17.158 
 
 Surface and Volume Properties
  Accessible surface: 494.793  Positive charged surface: 229.313  Negative charged surface: 265.479  Volume: 242.125
  Hydrophobic surface: 417.057  Hydrophilic surface: 77.736
 
 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.