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PUBCHEM-ZINC05967112

 MMsINC code: MMs03466906
Type: Neutral
Formula: C6H10N4O3
SMILES:   O=C1N(C)C(=O)N(C)C1NC(=O)N
InChI:   InChI=1/C6H10N4O3/c1-9-3(8-5(7)12)4(11)10(2)6(9)13/h3H,1-2H3,(H3,7,8,12)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-37.9841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.171 g/mol  logS: 0.07099  SlogP: -1.4954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102317  Sterimol/B1: 2.33088  Sterimol/B2: 2.65845  Sterimol/B3: 3.1949
  Sterimol/B4: 6.3621  Sterimol/L: 11.2524 
 
 Surface and Volume Properties
  Accessible surface: 362.245  Positive charged surface: 267.098  Negative charged surface: 95.1479  Volume: 159.125
  Hydrophobic surface: 161.395  Hydrophilic surface: 200.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.