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AURORAFEINCHEMIE-ZINC04731353

 MMsINC code: MMs00470707
Type: Neutral
Formula: C14H24N2O2
SMILES:   OC(=O)CCC1NCC2C3N(CC1C2)CCCC3
InChI:   InChI=1/C14H24N2O2/c17-14(18)5-4-12-11-7-10(8-15-12)13-3-1-2-6-16(13)9-11/h10-13,15H,1-9H2,(H,17,18)/t10-,11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=42.4399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -0.74116  SlogP: 1.3136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171863  Sterimol/B1: 2.45355  Sterimol/B2: 3.51806  Sterimol/B3: 3.99598
  Sterimol/B4: 5.31841  Sterimol/L: 13.9965 
 
 Surface and Volume Properties
  Accessible surface: 459.762  Positive charged surface: 371.544  Negative charged surface: 88.2179  Volume: 251.5
  Hydrophobic surface: 346.947  Hydrophilic surface: 112.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.