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PUBCHEM-ZINC06403309

 MMsINC code: MMs03707923
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-/m1/s1

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Potential Energy
Epot(MMFF94)=43.164 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: 0.0657949  Sterimol/B1: 2.80847  Sterimol/B2: 3.06728  Sterimol/B3: 3.48082
  Sterimol/B4: 4.49365  Sterimol/L: 14.1318 
 
 Surface and Volume Properties
  Accessible surface: 416.071  Positive charged surface: 317.325  Negative charged surface: 98.7458  Volume: 178.125
  Hydrophobic surface: 205.592  Hydrophilic surface: 210.479
 
 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


MMs03707924
PUBCHEM-ZINC06403309