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PUBCHEM-ZINC06039986

 MMsINC code: MMs03508613
Type: Neutral
Formula: C18H34N2O2
SMILES:   O=C(N1CC(N(CC1C)C(=O)CCCCC)C)CCCCC
InChI:   InChI=1/C18H34N2O2/c1-5-7-9-11-17(21)19-13-16(4)20(14-15(19)3)18(22)12-10-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=64.0278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.482 g/mol  logS: -4.03654  SlogP: 3.5948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286835  Sterimol/B1: 3.30205  Sterimol/B2: 3.45892  Sterimol/B3: 3.50469
  Sterimol/B4: 5.50101  Sterimol/L: 21.9671 
 
 Surface and Volume Properties
  Accessible surface: 637.872  Positive charged surface: 500.255  Negative charged surface: 137.616  Volume: 343.25
  Hydrophobic surface: 513.013  Hydrophilic surface: 124.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.