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NCID-ZINC01677409

 MMsINC code: MMs02312405
Type: Neutral
Formula: C12H26N2O2
SMILES:   O(CCN(CCCC)C)C(=O)N(CC)CC
InChI:   InChI=1/C12H26N2O2/c1-5-8-9-13(4)10-11-16-12(15)14(6-2)7-3/h5-11H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.72043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.352 g/mol  logS: -1.33045  SlogP: 2.1967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126046  Sterimol/B1: 2.57079  Sterimol/B2: 3.02267  Sterimol/B3: 4.76876
  Sterimol/B4: 6.08352  Sterimol/L: 15.144 
 
 Surface and Volume Properties
  Accessible surface: 525.493  Positive charged surface: 428.545  Negative charged surface: 96.9478  Volume: 260
  Hydrophobic surface: 429.374  Hydrophilic surface: 96.119
 
 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


MMs02312406
NCID-ZINC01677409