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PUBCHEM-ZINC05859079

 MMsINC code: MMs03421379
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(C(C)C)CCCNC(=O)NC(C(O)=O)C
InChI:   InChI=1/C10H20N2O4/c1-7(2)16-6-4-5-11-10(15)12-8(3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.98049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.92621  SlogP: 0.5738  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0290045  Sterimol/B1: 2.41524  Sterimol/B2: 2.55026  Sterimol/B3: 3.51576
  Sterimol/B4: 4.9342  Sterimol/L: 17.4881 
 
 Surface and Volume Properties
  Accessible surface: 509.294  Positive charged surface: 365.239  Negative charged surface: 144.055  Volume: 233.125
  Hydrophobic surface: 281.312  Hydrophilic surface: 227.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03421380
PUBCHEM-ZINC05859079