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IFLAB-ZINC01634325

 MMsINC code: MMs01985220
Type: Neutral
Formula: C10H20N2O4
SMILES:   OCCNC(=O)CCCCC(=O)NCCO
InChI:   InChI=1/C10H20N2O4/c13-7-5-11-9(15)3-1-2-4-10(16)12-6-8-14/h13-14H,1-8H2,(H,11,15)(H,12,16)

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Potential Energy
Epot(MMFF94)=16.1577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: 0.30202  SlogP: -1.2362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204692  Sterimol/B1: 2.3759  Sterimol/B2: 2.96865  Sterimol/B3: 2.99956
  Sterimol/B4: 3.86832  Sterimol/L: 18.2805 
 
 Surface and Volume Properties
  Accessible surface: 506.459  Positive charged surface: 412.741  Negative charged surface: 93.7185  Volume: 230
  Hydrophobic surface: 315.311  Hydrophilic surface: 191.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.