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PUBCHEM-ZINC06039650

 MMsINC code: MMs03508486
Type: Neutral
Formula: C16H30N2O2
SMILES:   O=C(NC1CCC(NC(=O)CCCC)CC1)CCCC
InChI:   InChI=1/C16H30N2O2/c1-3-5-7-15(19)17-13-9-11-14(12-10-13)18-16(20)8-6-4-2/h13-14H,3-12H2,1-2H3,(H,17,19)(H,18,20)/t13-,14-

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Potential Energy
Epot(MMFF94)=7.29058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.428 g/mol  logS: -3.37074  SlogP: 2.9104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262264  Sterimol/B1: 2.50855  Sterimol/B2: 2.58928  Sterimol/B3: 3.53429
  Sterimol/B4: 5.94897  Sterimol/L: 21.9024 
 
 Surface and Volume Properties
  Accessible surface: 613.418  Positive charged surface: 482.702  Negative charged surface: 130.716  Volume: 309.5
  Hydrophobic surface: 483.5  Hydrophilic surface: 129.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.