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MDPI-ZINC01576483

 MMsINC code: MMs02175789
Type: Neutral
Formula: C10H19N4O2P
SMILES:   P(Oc1ccccc1)(=O)(N(NC)C)N(NC)C
InChI:   InChI=1/C10H19N4O2P/c1-11-13(3)17(15,14(4)12-2)16-10-8-6-5-7-9-10/h5-9,11-12H,1-4H3

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Potential Energy
Epot(MMFF94)=87.3952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.262 g/mol  logS: 0.36392  SlogP: 0.2357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186194  Sterimol/B1: 2.14273  Sterimol/B2: 2.14697  Sterimol/B3: 5.34894
  Sterimol/B4: 7.27259  Sterimol/L: 13.2311 
 
 Surface and Volume Properties
  Accessible surface: 471.15  Positive charged surface: 371.84  Negative charged surface: 99.3095  Volume: 248.875
  Hydrophobic surface: 424.819  Hydrophilic surface: 46.331
 
 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.