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CHEMDIV-ZINC03549765

 MMsINC code: MMs00910694
Type: Neutral
Formula: C18H34N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NCCC(C)C)C1CCC(CC1)C
InChI:   InChI=1/C18H34N2O2/c1-12(2)10-11-19-18(22)16(13(3)4)20-17(21)15-8-6-14(5)7-9-15/h12-16H,6-11H2,1-5H3,(H,19,22)(H,20,21)/t14-,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=51.4872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.482 g/mol  logS: -4.59559  SlogP: 3.1158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697735  Sterimol/B1: 2.91095  Sterimol/B2: 3.67978  Sterimol/B3: 3.79155
  Sterimol/B4: 5.92869  Sterimol/L: 18.0672 
 
 Surface and Volume Properties
  Accessible surface: 598.64  Positive charged surface: 449.788  Negative charged surface: 148.851  Volume: 342.375
  Hydrophobic surface: 450.871  Hydrophilic surface: 147.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.