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NCID-ZINC01665185

 MMsINC code: MMs02301345
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C1(N)CCCC1CC(C)C
InChI:   InChI=1/C10H19NO2/c1-7(2)6-8-4-3-5-10(8,11)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=48.537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.98109  SlogP: 1.6147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263326  Sterimol/B1: 2.25541  Sterimol/B2: 3.54288  Sterimol/B3: 4.92288
  Sterimol/B4: 5.01258  Sterimol/L: 10.8015 
 
 Surface and Volume Properties
  Accessible surface: 391.109  Positive charged surface: 280.872  Negative charged surface: 110.237  Volume: 195.375
  Hydrophobic surface: 232.734  Hydrophilic surface: 158.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.