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CHEMDIV-ZINC02940770

 MMsINC code: MMs00895366
Type: Neutral
Formula: C19H20N4O3S
SMILES:   s1c2N=CN(CC(=O)NCC(=O)N(Cc3ccccc3)C)C(=O)c2cc1C
InChI:   InChI=1/C19H20N4O3S/c1-13-8-15-18(27-13)21-12-23(19(15)26)11-16(24)20-9-17(25)22(2)10-14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=61.9555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.46 g/mol  logS: -4.26719  SlogP: 2.21332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399506  Sterimol/B1: 3.49373  Sterimol/B2: 3.72537  Sterimol/B3: 3.97553
  Sterimol/B4: 5.55634  Sterimol/L: 20.6589 
 
 Surface and Volume Properties
  Accessible surface: 659.46  Positive charged surface: 406.606  Negative charged surface: 252.854  Volume: 354.375
  Hydrophobic surface: 504.171  Hydrophilic surface: 155.289
 
 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.