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PUBCHEM-ZINC03647482

 MMsINC code: MMs03033178
Type: Neutral
Formula: C10H18N2O5
SMILES:   OC(=O)C(N)CCC(=O)C(N)C(CC(O)=O)C
InChI:   InChI=1/C10H18N2O5/c1-5(4-8(14)15)9(12)7(13)3-2-6(11)10(16)17/h5-6,9H,2-4,11-12H2,1H3,(H,14,15)(H,16,17)/t5-,6+,9-/m0/s1

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Potential Energy
Epot(MMFF94)=41.1293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.263 g/mol  logS: 0.33456  SlogP: -0.8143  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125567  Sterimol/B1: 2.43507  Sterimol/B2: 3.92953  Sterimol/B3: 4.60533
  Sterimol/B4: 5.3878  Sterimol/L: 13.0268 
 
 Surface and Volume Properties
  Accessible surface: 468.957  Positive charged surface: 311.396  Negative charged surface: 157.561  Volume: 224.25
  Hydrophobic surface: 144.909  Hydrophilic surface: 324.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.