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NCID-ZINC05542046

 MMsINC code: MMs02472374
Type: Neutral
Formula: C10H17NO2
SMILES:   OC1CC2(NC(=O)CCC2)CCC1
InChI:   InChI=1/C10H17NO2/c12-8-3-1-5-10(7-8)6-2-4-9(13)11-10/h8,12H,1-7H2,(H,11,13)/t8-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=27.6543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -0.95079  SlogP: 0.9602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281614  Sterimol/B1: 2.6396  Sterimol/B2: 3.98543  Sterimol/B3: 4.14081
  Sterimol/B4: 5.40941  Sterimol/L: 10.1698 
 
 Surface and Volume Properties
  Accessible surface: 365.534  Positive charged surface: 262.459  Negative charged surface: 103.074  Volume: 183.5
  Hydrophobic surface: 263.201  Hydrophilic surface: 102.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.