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NCID-ZINC01710218

 MMsINC code: MMs02337398
Type: Neutral
Formula: C7H10N2O3
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1C
InChI:   InChI=1/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h4H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.8878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.168 g/mol  logS: -0.3995  SlogP: -0.3271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124381  Sterimol/B1: 2.13647  Sterimol/B2: 2.4881  Sterimol/B3: 3.50868
  Sterimol/B4: 6.77838  Sterimol/L: 9.16599 
 
 Surface and Volume Properties
  Accessible surface: 337.127  Positive charged surface: 246.563  Negative charged surface: 90.5637  Volume: 153.25
  Hydrophobic surface: 219.594  Hydrophilic surface: 117.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.