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PUBCHEM-ZINC06758521

 MMsINC code: MMs03853853
Type: Ionized
Formula: C10H21N2O3+
SMILES:   O1CC[NH+](CC1)CCNC(=O)COCC
InChI:   InChI=1/C10H20N2O3/c1-2-14-9-10(13)11-3-4-12-5-7-15-8-6-12/h2-9H2,1H3,(H,11,13)/p+1

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Potential Energy
Epot(MMFF94)=64.4108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.289 g/mol  logS: -0.39794  SlogP: -1.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305019  Sterimol/B1: 2.75602  Sterimol/B2: 3.32659  Sterimol/B3: 3.36545
  Sterimol/B4: 4.1493  Sterimol/L: 16.9173 
 
 Surface and Volume Properties
  Accessible surface: 488.16  Positive charged surface: 413.41  Negative charged surface: 74.7507  Volume: 225.375
  Hydrophobic surface: 360.793  Hydrophilic surface: 127.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03853852
PUBCHEM-ZINC06758521