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MDPI-ZINC01577974

 MMsINC code: MMs02175793
Type: Neutral
Formula: C10H19N4OPS
SMILES:   S=P(Oc1ccccc1)(NN(C)C)NN(C)C
InChI:   InChI=1/C10H19N4OPS/c1-13(2)11-16(17,12-14(3)4)15-10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,11,12,17)

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Potential Energy
Epot(MMFF94)=103.47 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.329 g/mol  logS: -1.81778  SlogP: 1.4223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170149  Sterimol/B1: 2.75273  Sterimol/B2: 3.6077  Sterimol/B3: 4.56845
  Sterimol/B4: 5.31774  Sterimol/L: 13.2818 
 
 Surface and Volume Properties
  Accessible surface: 460.696  Positive charged surface: 354.116  Negative charged surface: 106.58  Volume: 260.875
  Hydrophobic surface: 387.469  Hydrophilic surface: 73.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.