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PUBCHEM-ZINC06482438

 MMsINC code: MMs03758785
Type: Neutral
Formula: C16H26FNO2
SMILES:   FC1CCC(CC1)C1CC2N(C(CC2)C1C(OC)=O)C
InChI:   InChI=1/C16H26FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h10-15H,3-9H2,1-2H3/t10-,11+,12-,13-,14+,15+/m1/s1

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Potential Energy
Epot(MMFF94)=339.377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.387 g/mol  logS: -2.30179  SlogP: 3.2065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272983  Sterimol/B1: 2.14322  Sterimol/B2: 3.40593  Sterimol/B3: 4.12493
  Sterimol/B4: 8.64545  Sterimol/L: 11.8157 
 
 Surface and Volume Properties
  Accessible surface: 461.242  Positive charged surface: 376.958  Negative charged surface: 84.2834  Volume: 272.5
  Hydrophobic surface: 400.191  Hydrophilic surface: 61.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03758786
PUBCHEM-ZINC06482438