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PUBCHEM-ZINC00369933

 MMsINC code: MMs02665251
Type: Neutral
Formula: C18H30N2O2
SMILES:   O=C(NC1CCC(NC(=O)C2CCCC2)CC1)C1CCCC1
InChI:   InChI=1/C18H30N2O2/c21-17(13-5-1-2-6-13)19-15-9-11-16(12-10-15)20-18(22)14-7-3-4-8-14/h13-16H,1-12H2,(H,19,21)(H,20,22)/t15-,16-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.45 g/mol  logS: -3.5702  SlogP: 2.9104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506593  Sterimol/B1: 2.4271  Sterimol/B2: 2.85162  Sterimol/B3: 4.6074
  Sterimol/B4: 5.55875  Sterimol/L: 19.1685 
 
 Surface and Volume Properties
  Accessible surface: 600.945  Positive charged surface: 477.032  Negative charged surface: 123.913  Volume: 321
  Hydrophobic surface: 530.337  Hydrophilic surface: 70.608
 
 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.