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NCID-ZINC01659930

 MMsINC code: MMs02297417
Type: Neutral
Formula: C12H18N4O3
SMILES:   O=C1N=C(NC(=O)C)C=CN1CC(=O)N(CC)CC
InChI:   InChI=1/C12H18N4O3/c1-4-15(5-2)11(18)8-16-7-6-10(13-9(3)17)14-12(16)19/h6-7H,4-5,8H2,1-3H3,(H,13,14,17,19)

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Potential Energy
Epot(MMFF94)=31.2628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.301 g/mol  logS: -1.5175  SlogP: 0.3387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710438  Sterimol/B1: 2.19232  Sterimol/B2: 3.43693  Sterimol/B3: 3.73421
  Sterimol/B4: 6.55524  Sterimol/L: 15.0425 
 
 Surface and Volume Properties
  Accessible surface: 504.438  Positive charged surface: 327.265  Negative charged surface: 177.173  Volume: 255.25
  Hydrophobic surface: 323.889  Hydrophilic surface: 180.549
 
 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.