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PUBCHEM-ZINC05566769

 MMsINC code: MMs03308775
Type: Neutral
Formula: C10H17NO2
SMILES:   OC(=O)C(N)C=1CCCCCCC=1
InChI:   InChI=1/C10H17NO2/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,11H2,(H,12,13)/b8-6-/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=115.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -2.08016  SlogP: 1.6789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.557751  Sterimol/B1: 3.77769  Sterimol/B2: 3.90825  Sterimol/B3: 4.59495
  Sterimol/B4: 4.6278  Sterimol/L: 9.18445 
 
 Surface and Volume Properties
  Accessible surface: 359.466  Positive charged surface: 256.891  Negative charged surface: 102.575  Volume: 184.5
  Hydrophobic surface: 228.343  Hydrophilic surface: 131.123
 
 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


MMs03308776
PUBCHEM-ZINC05566769