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ENAMINE-ZINC03187345

 MMsINC code: MMs01299824
Type: Neutral
Formula: C14H23NO2
SMILES:   O=C1C2CC(CC1CCC2)C(=O)NC(CC)C
InChI:   InChI=1/C14H23NO2/c1-3-9(2)15-14(17)12-7-10-5-4-6-11(8-12)13(10)16/h9-12H,3-8H2,1-2H3,(H,15,17)/t9-,10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=35.6674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -1.84007  SlogP: 2.2965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154189  Sterimol/B1: 2.23743  Sterimol/B2: 3.46288  Sterimol/B3: 4.28971
  Sterimol/B4: 5.99073  Sterimol/L: 12.7694 
 
 Surface and Volume Properties
  Accessible surface: 467.338  Positive charged surface: 336.742  Negative charged surface: 130.596  Volume: 246.25
  Hydrophobic surface: 360.899  Hydrophilic surface: 106.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.