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NCID-ZINC01677423

 MMsINC code: MMs02312424
Type: Neutral
Formula: C11H24N2O2
SMILES:   O(CCN(CC)CC)C(=O)N(CC)CC
InChI:   InChI=1/C11H24N2O2/c1-5-12(6-2)9-10-15-11(14)13(7-3)8-4/h5-10H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.325 g/mol  logS: -0.94067  SlogP: 1.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13553  Sterimol/B1: 2.32064  Sterimol/B2: 3.65138  Sterimol/B3: 3.75841
  Sterimol/B4: 6.20511  Sterimol/L: 12.9922 
 
 Surface and Volume Properties
  Accessible surface: 484.929  Positive charged surface: 378.346  Negative charged surface: 106.583  Volume: 243
  Hydrophobic surface: 371.339  Hydrophilic surface: 113.59
 
 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


MMs02312425
NCID-ZINC01677423