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CHEMBRIDGE-ZINC02100051

 MMsINC code: MMs00702379
Type: Neutral
Formula: C11H15N3O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCCC(O)=O
InChI:   InChI=1/C11H15N3O5/c1-13-9(17)7(10(18)14(2)11(13)19)6-12-5-3-4-8(15)16/h6,12H,3-5H2,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=-7.96054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.257 g/mol  logS: -0.44444  SlogP: -0.6249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015834  Sterimol/B1: 2.45765  Sterimol/B2: 2.66815  Sterimol/B3: 2.80709
  Sterimol/B4: 6.36476  Sterimol/L: 16.182 
 
 Surface and Volume Properties
  Accessible surface: 489.41  Positive charged surface: 354.245  Negative charged surface: 135.165  Volume: 238.375
  Hydrophobic surface: 284.562  Hydrophilic surface: 204.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00702380
CHEMBRIDGE-ZINC02100051