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PUBCHEM-ZINC05847691

 MMsINC code: MMs03414727
Type: Neutral
Formula: C14H26N2O2
SMILES:   O(C(=O)C1N2CCC(C1)CC2)CCN(CC)CC
InChI:   InChI=1/C14H26N2O2/c1-3-15(4-2)9-10-18-14(17)13-11-12-5-7-16(13)8-6-12/h12-13H,3-11H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=80.4603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.42823  SlogP: 1.3557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847691  Sterimol/B1: 2.36786  Sterimol/B2: 3.19176  Sterimol/B3: 3.90259
  Sterimol/B4: 5.72848  Sterimol/L: 14.3327 
 
 Surface and Volume Properties
  Accessible surface: 515.812  Positive charged surface: 426.466  Negative charged surface: 89.3454  Volume: 269.5
  Hydrophobic surface: 443.429  Hydrophilic surface: 72.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03414728
PUBCHEM-ZINC05847691