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NCID-ZINC01737514

 MMsINC code: MMs02358465
Type: Neutral
Formula: C14H15N4O4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)NC(NC(=O)N)=N
InChI:   InChI=1/C14H15N4O4P/c15-13(17-14(16)19)18-23(20,21-11-7-3-1-4-8-11)22-12-9-5-2-6-10-12/h1-10H,(H5,15,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-3.22499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.272 g/mol  logS: -3.67653  SlogP: 1.37497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835058  Sterimol/B1: 3.15486  Sterimol/B2: 3.19544  Sterimol/B3: 5.66042
  Sterimol/B4: 7.12735  Sterimol/L: 14.4024 
 
 Surface and Volume Properties
  Accessible surface: 545.896  Positive charged surface: 308.791  Negative charged surface: 237.104  Volume: 288.375
  Hydrophobic surface: 351.953  Hydrophilic surface: 193.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.