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ASINEX-ZINC04969106

 MMsINC code: MMs00418161
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1CCCC1CNCC(=O)N1CCCCC1CC
InChI:   InChI=1/C14H26N2O2/c1-2-12-6-3-4-8-16(12)14(17)11-15-10-13-7-5-9-18-13/h12-13,15H,2-11H2,1H3/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=78.8836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.40221  SlogP: 1.5461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410576  Sterimol/B1: 2.45203  Sterimol/B2: 3.08645  Sterimol/B3: 3.25844
  Sterimol/B4: 7.68508  Sterimol/L: 15.5656 
 
 Surface and Volume Properties
  Accessible surface: 521.455  Positive charged surface: 431.667  Negative charged surface: 89.7879  Volume: 270
  Hydrophobic surface: 454.881  Hydrophilic surface: 66.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.