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ACROSORGANICS-ZINC06661950

 MMsINC code: MMs00019052
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(NC(C)(C)C)C1NCC2C(C1)CCCC2
InChI:   InChI=1/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=59.4346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.91122  SlogP: 2.0694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986108  Sterimol/B1: 2.51026  Sterimol/B2: 3.07609  Sterimol/B3: 4.567
  Sterimol/B4: 4.77566  Sterimol/L: 14.1208 
 
 Surface and Volume Properties
  Accessible surface: 476.391  Positive charged surface: 368.832  Negative charged surface: 107.558  Volume: 256.625
  Hydrophobic surface: 374.324  Hydrophilic surface: 102.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00019053
ACROSORGANICS-ZINC06661950