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PUBCHEM-ZINC05791787

 MMsINC code: MMs03387608
Type: Neutral
Formula: C18H32N2O2
SMILES:   O=C(N1CCC(CC1)C)CCCCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C18H32N2O2/c1-15-7-11-19(12-8-15)17(21)5-3-4-6-18(22)20-13-9-16(2)10-14-20/h15-16H,3-14H2,1-2H3

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Potential Energy
Epot(MMFF94)=26.8394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.466 g/mol  logS: -2.42982  SlogP: 3.0638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268863  Sterimol/B1: 2.81852  Sterimol/B2: 3.31385  Sterimol/B3: 4.23142
  Sterimol/B4: 4.82921  Sterimol/L: 20.7225 
 
 Surface and Volume Properties
  Accessible surface: 621.366  Positive charged surface: 504.365  Negative charged surface: 117  Volume: 332.75
  Hydrophobic surface: 516.921  Hydrophilic surface: 104.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.