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AURORAFEINCHEMIE-ZINC05348081

 MMsINC code: MMs00474521
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(C(=O)C(NC(=O)NCCCCCO)C)C
InChI:   InChI=1/C10H20N2O4/c1-8(9(14)16-2)12-10(15)11-6-4-3-5-7-13/h8,13H,3-7H2,1-2H3,(H2,11,12,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.68035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.74248  SlogP: 0.0097  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0261685  Sterimol/B1: 2.22291  Sterimol/B2: 2.52986  Sterimol/B3: 3.55184
  Sterimol/B4: 5.31762  Sterimol/L: 18.9238 
 
 Surface and Volume Properties
  Accessible surface: 505.708  Positive charged surface: 403.319  Negative charged surface: 102.389  Volume: 230.375
  Hydrophobic surface: 331.777  Hydrophilic surface: 173.931
 
 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: no related molecules available.