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PUBCHEM-ZINC02911618

 MMsINC code: MMs02958138
Type: Neutral
Formula: C18H17ClN4O2S
SMILES:   Clc1ccc(NC(=O)c2sc3ncnc(N4CCOCC4)c3c2C)cc1
InChI:   InChI=1/C18H17ClN4O2S/c1-11-14-16(23-6-8-25-9-7-23)20-10-21-18(14)26-15(11)17(24)22-13-4-2-12(19)3-5-13/h2-5,10H,6-9H2,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=137.562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.879 g/mol  logS: -6.10049  SlogP: 3.74202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494382  Sterimol/B1: 3.20483  Sterimol/B2: 3.59351  Sterimol/B3: 3.68577
  Sterimol/B4: 6.62978  Sterimol/L: 17.4953 
 
 Surface and Volume Properties
  Accessible surface: 603.42  Positive charged surface: 357.075  Negative charged surface: 242.359  Volume: 337.375
  Hydrophobic surface: 482.991  Hydrophilic surface: 120.429
 
 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.