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PUBCHEM-ZINC05753447

 MMsINC code: MMs03371877
Type: Neutral
Formula: C12H18N4O4
SMILES:   O1CCN(CC1)CC(=O)NC=1N(C)C(=O)N(C)C(=O)C=1
InChI:   InChI=1/C12H18N4O4/c1-14-9(7-11(18)15(2)12(14)19)13-10(17)8-16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3,(H,13,17)

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Potential Energy
Epot(MMFF94)=62.5893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.3 g/mol  logS: -0.91777  SlogP: -1.2  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060812  Sterimol/B1: 2.18398  Sterimol/B2: 2.7468  Sterimol/B3: 4.48991
  Sterimol/B4: 5.73891  Sterimol/L: 15.4232 
 
 Surface and Volume Properties
  Accessible surface: 492.307  Positive charged surface: 395.704  Negative charged surface: 96.6034  Volume: 253.125
  Hydrophobic surface: 359.929  Hydrophilic surface: 132.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs03371878
PUBCHEM-ZINC05753447