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PUBCHEM-ZINC05413422

 MMsINC code: MMs03261307
Type: Neutral
Formula: C10H17NO3
SMILES:   OC(=O)C(C(=O)N)C1CCCCCC1
InChI:   InChI=1/C10H17NO3/c11-9(12)8(10(13)14)7-5-3-1-2-4-6-7/h7-8H,1-6H2,(H2,11,12)(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=34.9455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -2.93791  SlogP: 1.1429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118754  Sterimol/B1: 2.35112  Sterimol/B2: 3.28099  Sterimol/B3: 3.73511
  Sterimol/B4: 4.75112  Sterimol/L: 10.6127 
 
 Surface and Volume Properties
  Accessible surface: 383.629  Positive charged surface: 280.927  Negative charged surface: 102.702  Volume: 189.75
  Hydrophobic surface: 223.905  Hydrophilic surface: 159.724
 
 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


MMs03261308
PUBCHEM-ZINC05413422