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PUBCHEM-ZINC05133412

 MMsINC code: MMs03208329
Type: Neutral
Formula: C9H14N4O4
SMILES:   O=C1NC(CC1)C(=O)NC(CC(=O)N)C(=O)N
InChI:   InChI=1/C9H14N4O4/c10-6(14)3-5(8(11)16)13-9(17)4-1-2-7(15)12-4/h4-5H,1-3H2,(H2,10,14)(H2,11,16)(H,12,15)(H,13,17)/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=36.4223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.235 g/mol  logS: -0.60725  SlogP: -2.8895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100578  Sterimol/B1: 2.50446  Sterimol/B2: 4.36662  Sterimol/B3: 4.71952
  Sterimol/B4: 4.93413  Sterimol/L: 12.7927 
 
 Surface and Volume Properties
  Accessible surface: 444.585  Positive charged surface: 295.948  Negative charged surface: 148.636  Volume: 210
  Hydrophobic surface: 141.503  Hydrophilic surface: 303.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.