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MDPI-ZINC01577975

 MMsINC code: MMs02175794
Type: Neutral
Formula: C10H19N4O2P
SMILES:   P(Oc1ccccc1)(=O)(NN(C)C)NN(C)C
InChI:   InChI=1/C10H19N4O2P/c1-13(2)11-17(15,12-14(3)4)16-10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,11,12,15)

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Potential Energy
Epot(MMFF94)=78.7482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.262 g/mol  logS: -0.5645  SlogP: 0.2357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165778  Sterimol/B1: 2.75228  Sterimol/B2: 2.92289  Sterimol/B3: 4.57251
  Sterimol/B4: 5.36855  Sterimol/L: 13.2748 
 
 Surface and Volume Properties
  Accessible surface: 456.689  Positive charged surface: 371.42  Negative charged surface: 85.2691  Volume: 249.5
  Hydrophobic surface: 401.818  Hydrophilic surface: 54.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.