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PUBCHEM-ZINC06403459

 MMsINC code: MMs03708059
Type: Neutral
Formula: C7H14N2O4
SMILES:   O(C(=O)C(NC(=O)CN)CO)CC
InChI:   InChI=1/C7H14N2O4/c1-2-13-7(12)5(4-10)9-6(11)3-8/h5,10H,2-4,8H2,1H3,(H,9,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.01269  SlogP: -2.0147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711854  Sterimol/B1: 2.78836  Sterimol/B2: 2.98532  Sterimol/B3: 3.32684
  Sterimol/B4: 4.77515  Sterimol/L: 14.1312 
 
 Surface and Volume Properties
  Accessible surface: 414.025  Positive charged surface: 316.907  Negative charged surface: 97.118  Volume: 177.75
  Hydrophobic surface: 205.775  Hydrophilic surface: 208.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03708060
PUBCHEM-ZINC06403459