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NCID-ZINC01690363

 MMsINC code: MMs02322677
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)=64.8162 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: 0.216719  Sterimol/B1: 3.185  Sterimol/B2: 3.32699  Sterimol/B3: 4.33525
  Sterimol/B4: 6.68398  Sterimol/L: 11.8548 
 
 Surface and Volume Properties
  Accessible surface: 468.418  Positive charged surface: 372.276  Negative charged surface: 96.1416  Volume: 263
  Hydrophobic surface: 384.488  Hydrophilic surface: 83.93
 
 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


MMs02322678
NCID-ZINC01690363