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NCID-ZINC01696317

 MMsINC code: MMs02327095
Type: Neutral
Formula: C11H18N4O3
SMILES:   O=C1N(CC)C(=O)N(CCC)C(N)=C1NC(=O)C
InChI:   InChI=1/C11H18N4O3/c1-4-6-15-9(12)8(13-7(3)16)10(17)14(5-2)11(15)18/h4-6,12H2,1-3H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=30.6295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.29 g/mol  logS: -1.34886  SlogP: -0.0556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731739  Sterimol/B1: 2.82524  Sterimol/B2: 2.97426  Sterimol/B3: 3.5607
  Sterimol/B4: 7.62525  Sterimol/L: 13.5025 
 
 Surface and Volume Properties
  Accessible surface: 474.785  Positive charged surface: 331.286  Negative charged surface: 143.499  Volume: 240.5
  Hydrophobic surface: 290.492  Hydrophilic surface: 184.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.