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NCID-ZINC04797523

 MMsINC code: MMs02406960
Type: Neutral
Formula: C10H16N4O3
SMILES:   O=C1N(CC)C(=O)N(CC(C)C)C(N)=C1N=O
InChI:   InChI=1/C10H16N4O3/c1-4-13-9(15)7(12-17)8(11)14(10(13)16)5-6(2)3/h6H,4-5,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=34.107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.263 g/mol  logS: -1.79812  SlogP: 0.8207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113058  Sterimol/B1: 2.28476  Sterimol/B2: 2.33285  Sterimol/B3: 4.25775
  Sterimol/B4: 6.99109  Sterimol/L: 11.9244 
 
 Surface and Volume Properties
  Accessible surface: 430.382  Positive charged surface: 276.311  Negative charged surface: 154.071  Volume: 220.875
  Hydrophobic surface: 267.185  Hydrophilic surface: 163.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.