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CHEMDIV-ZINC06917304

 MMsINC code: MMs01061743
Type: Neutral
Formula: C15H18N4O3S
SMILES:   S(=O)(=O)(N1CCCC1)c1ncn(c1)CC(=O)Nc1ccccc1
InChI:   InChI=1/C15H18N4O3S/c20-14(17-13-6-2-1-3-7-13)10-18-11-15(16-12-18)23(21,22)19-8-4-5-9-19/h1-3,6-7,11-12H,4-5,8-10H2,(H,17,20)

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Potential Energy
Epot(MMFF94)=74.2099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.4 g/mol  logS: -2.65674  SlogP: 1.5727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470265  Sterimol/B1: 2.99494  Sterimol/B2: 3.90355  Sterimol/B3: 4.13689
  Sterimol/B4: 5.56569  Sterimol/L: 18.0622 
 
 Surface and Volume Properties
  Accessible surface: 583.222  Positive charged surface: 386.46  Negative charged surface: 196.762  Volume: 298.875
  Hydrophobic surface: 462.945  Hydrophilic surface: 120.277
 
 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.