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ENAMINE-ZINC06788561

 MMsINC code: MMs01698262
Type: Neutral
Formula: C16H15ClN6OS
SMILES:   Clc1ccc(nc1)NC(=O)CSc1nnnn1-c1ccc(cc1C)C
InChI:   InChI=1/C16H15ClN6OS/c1-10-3-5-13(11(2)7-10)23-16(20-21-22-23)25-9-15(24)19-14-6-4-12(17)8-18-14/h3-8H,9H2,1-2H3,(H,18,19,24)

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Potential Energy
Epot(MMFF94)=97.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.856 g/mol  logS: -5.0947  SlogP: 3.05834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278031  Sterimol/B1: 2.08907  Sterimol/B2: 3.26321  Sterimol/B3: 3.64692
  Sterimol/B4: 8.58601  Sterimol/L: 18.5656 
 
 Surface and Volume Properties
  Accessible surface: 622.003  Positive charged surface: 312.129  Negative charged surface: 277.169  Volume: 327.75
  Hydrophobic surface: 498.856  Hydrophilic surface: 123.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.