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ENAMINE-ZINC00403625

 MMsINC code: MMs01229948
Type: Neutral
Formula: C6H10N2O3
SMILES:   OC(=O)C1N(CCC1)C(=O)N
InChI:   InChI=1/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.04639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.157 g/mol  logS: -0.15255  SlogP: -0.3859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160638  Sterimol/B1: 2.33557  Sterimol/B2: 2.91345  Sterimol/B3: 3.16079
  Sterimol/B4: 6.03716  Sterimol/L: 9.20487 
 
 Surface and Volume Properties
  Accessible surface: 324.966  Positive charged surface: 224.77  Negative charged surface: 100.195  Volume: 139.5
  Hydrophobic surface: 146.006  Hydrophilic surface: 178.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01229949
ENAMINE-ZINC00403625