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ENAMINE-ZINC03414481

 MMsINC code: MMs01428075
Type: Neutral
Formula: C15H15ClN2O3
SMILES:   Clc1cc(cc(OC)c1OC)C(=O)NCc1ccncc1
InChI:   InChI=1/C15H15ClN2O3/c1-20-13-8-11(7-12(16)14(13)21-2)15(19)18-9-10-3-5-17-6-4-10/h3-8H,9H2,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=72.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.749 g/mol  logS: -2.87582  SlogP: 2.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548364  Sterimol/B1: 2.00016  Sterimol/B2: 3.57972  Sterimol/B3: 3.69349
  Sterimol/B4: 7.77701  Sterimol/L: 15.3448 
 
 Surface and Volume Properties
  Accessible surface: 554.568  Positive charged surface: 380.083  Negative charged surface: 174.485  Volume: 281.75
  Hydrophobic surface: 475.468  Hydrophilic surface: 79.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.