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NCID-ZINC01690361

 MMsINC code: MMs02322673
Type: Neutral
Formula: C14H26N2O2
SMILES:   OC(=O)C(N1CCCCC1)C(N1CCCCC1)C
InChI:   InChI=1/C14H26N2O2/c1-12(15-8-4-2-5-9-15)13(14(17)18)16-10-6-3-7-11-16/h12-13H,2-11H2,1H3,(H,17,18)/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=64.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.21767  SlogP: 1.7999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126606  Sterimol/B1: 2.31766  Sterimol/B2: 2.40331  Sterimol/B3: 4.61051
  Sterimol/B4: 5.74385  Sterimol/L: 14.2273 
 
 Surface and Volume Properties
  Accessible surface: 473.913  Positive charged surface: 386.806  Negative charged surface: 87.1069  Volume: 264.25
  Hydrophobic surface: 393.49  Hydrophilic surface: 80.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02322674
NCID-ZINC01690361